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CAS No.: | 14641-93-1 |
---|---|
Name: | Lactose |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C12H22O11 |
Molecular Weight: | 342.3 |
Synonyms: | Lactose,α- (8CI);α-D-Lactose;α-Lactose; |
EINECS: | 238-691-8 |
Density: | 1.76 g/cm3 |
Melting Point: | 201-202 °C |
Boiling Point: | 667.9 °C at 760 mmHg |
Flash Point: | 357.8 °C |
Appearance: | White fine crystals |
PSA: | 189.53000 |
LogP: | -5.39720 |
The α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-, with the CAS registry number 14641-93-1, is also known as 4-O-beta-D-Galactopyranosyl-alpha-D-glucopyranose. It belongs to the product categories of Basic Sugars (Mono & Oligosaccharides); Biochemistry; Disaccharides; Sugars. Its EINECS registry number is 238-691-8. This chemical's molecular formula is C12H22O11 and molecular weight is 342.29648. Its IUPAC name is called (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol. You should keep its container tightly closed.
Physical properties of α-D-Glucopyranose, 4-O-β-D-galactopyranosyl-: (1)ACD/LogP: -3.41; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -3.41; (4)ACD/LogD (pH 7.4): -3.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.652; (13)Molar Refractivity: 70.8 cm3; (14)Molar Volume: 193.6 cm3; (15)Surface Tension: 110.8 dyne/cm; (16)Density: 1.76 g/cm3; (17)Flash Point: 357.8 °C; (18)Enthalpy of Vaporization: 112.36 kJ/mol; (19)Boiling Point: 667.9 °C at 760 mmHg; (20)Vapour Pressure: 1.08E-20 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
(2)Isomeric SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
(3)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
(4)InChIKey: GUBGYTABKSRVRQ-XLOQQCSPSA-N