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6665-00-5

Basic Information
CAS No.: 6665-00-5
Name: galactose-6-phosphate
Article Data: 32
Molecular Structure:
Molecular Structure of 6665-00-5 (galactose-6-phosphate)
Formula: C6H13O9P
Molecular Weight: 260.138
Synonyms: D-Galactose,6-phosphate (6CI);Galactose, 6-(dihydrogen phosphate), D- (8CI);D-Galactose 6-phosphate;NSC 170229;6-O-Phosphono-D-galactose;
Density: 1.832 g/cm3
Boiling Point: 667.8 °C at 760 mmHg
Flash Point: 357.7 °C
PSA: 166.72000
LogP: -3.10440
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    galactose-6-phosphate Basic information

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Specification

The D-Galactose,6-(dihydrogen phosphate), with the CAS registry number 6665-00-5, is also known as D-Galactose 6-phosphate. This chemical's molecular formula is C6H13O9P and molecular weight is 260.14. What's more, its systematic name is 6-O-phosphono-D-galactose.

Physical properties of D-Galactose,6-(dihydrogen phosphate) are: (1)ACD/LogP: -3.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -6.59; (4)ACD/LogD (pH 7.4): -7.52; (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: 9; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 108.56 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 47.69 cm3; (15)Molar Volume: 141.9 cm3; (16)Polarizability: 18.9×10-24cm3; (17)Surface Tension: 111.6 dyne/cm; (18)Density: 1.832 g/cm3; (19)Flash Point: 357.7 °C; (20)Enthalpy of Vaporization: 112.35 kJ/mol; (21)Boiling Point: 667.8 °C at 760 mmHg; (22)Vapour Pressure: 1.1E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(O)(O)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O
(2)InChI: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6-/m0/s1
(3)InChIKey: VFRROHXSMXFLSN-KCDKBNATSA-N