1.0
2011-04-08 16:49:06 UTC
2019-11-26 03:20:52 UTC
FDB021789
alpha-Lactose
Alpha-pyranose form of the compound lactose [CCD]
1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose
alpha-Lactose
beta-D-Galactopyranosyl-(1->4)-alpha-D-glucopyranose
beta-D-Galactopyranosyl-(1->4)-alpha-D-glucose
C12H22O11
342.2965
342.116211546
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
α-lactose
14641-93-1
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
GUBGYTABKSRVRQ-XLOQQCSPSA-N
belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
O-glycosyl compounds
Organic compounds
Organic oxygen compounds
Organooxygen compounds
Carbohydrates and carbohydrate conjugates
Aliphatic heteromonocyclic compounds
Acetals
Disaccharides
Hemiacetals
Hydrocarbon derivatives
Oxacyclic compounds
Oxanes
Polyols
Primary alcohols
Secondary alcohols
Acetal
Alcohol
Aliphatic heteromonocyclic compound
Disaccharide
Hemiacetal
Hydrocarbon derivative
O-glycosyl compound
Organoheterocyclic compound
Oxacycle
Oxane
Polyol
Primary alcohol
Secondary alcohol
lactose
logp
-3.01
logs
0.23
solubility
5.86e+02 g/l
logp
-4.7
pka_strongest_acidic
11.25
pka_strongest_basic
-3
iupac
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol
average_mass
342.2965
mono_mass
342.116211546
smiles
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O
formula
C12H22O11
inchi
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1
inchikey
GUBGYTABKSRVRQ-XLOQQCSPSA-N
polar_surface_area
189.53
refractivity
68.34
polarizability
30.92
rotatable_bond_count
4
acceptor_count
11
donor_count
8
physiological_charge
0
formal_charge
0
Specdb::NmrTwoD
986
Specdb::NmrTwoD
1192
Specdb::NmrOneD
1154
Specdb::NmrOneD
1196
Specdb::NmrOneD
6052
Specdb::NmrOneD
6053
Specdb::NmrOneD
6054
Specdb::NmrOneD
6055
Specdb::NmrOneD
6056
Specdb::NmrOneD
6057
Specdb::NmrOneD
6058
Specdb::NmrOneD
6059
Specdb::NmrOneD
6060
Specdb::NmrOneD
6061
Specdb::NmrOneD
6062
Specdb::NmrOneD
6063
Specdb::NmrOneD
6064
Specdb::NmrOneD
6065
Specdb::NmrOneD
6066
Specdb::NmrOneD
6067
Specdb::NmrOneD
6068
Specdb::NmrOneD
6069
Specdb::NmrOneD
6070
Specdb::NmrOneD
6071
Specdb::NmrOneD
166517
Specdb::CMs
426
Specdb::CMs
427
Specdb::CMs
428
Specdb::CMs
23173
Specdb::CMs
37343
Specdb::CMs
148314
Specdb::CMs
148316
Specdb::CMs
148318
Specdb::CMs
148320
Specdb::CMs
148322
Specdb::CMs
148324
Specdb::CMs
148327
Specdb::CMs
148328
Specdb::CMs
148331
Specdb::CMs
164052
Specdb::CMs
279669
Specdb::CMs
1052873
Specdb::CMs
1052875
Specdb::CMs
1052877
Specdb::CMs
1052878
Specdb::CMs
1052881
Specdb::CMs
1052883
Specdb::CMs
1052884
Specdb::CMs
1052886
Specdb::CMs
1052888
Specdb::MsMs
292
Specdb::MsMs
293
Specdb::MsMs
294
Specdb::MsMs
317407
Specdb::MsMs
317408
Specdb::MsMs
317409
Specdb::MsMs
363868
Specdb::MsMs
363869
Specdb::MsMs
363870
Specdb::MsMs
2729182
Specdb::MsMs
2729183
Specdb::MsMs
2729184
Specdb::MsMs
2980160
Specdb::MsMs
2980161
Specdb::MsMs
2980162
36219
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Cow milk, pasteurized, vitamin A + D added, 0% fat
Type 2
specific
Cow milk, pasteurized, vitamin A + D added, 1% fat
Type 2
specific
Cow milk, pasteurized, vitamin A + D added, 2% fat
Type 2
specific
Cow milk, pasteurized, vitamin D added, 3.25% fat
Type 2
specific
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Milk (Cow)
Type 2
specific
125582.615067
145780.0474
18.989
uM
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823