CAS No.62475-58-5,D-Glucoheptose Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62475-58-5
Name:	D-Glucoheptose
Article Data:	8

Formula:	C₇H₁₄O₇
Molecular Weight:	210.184
Synonyms:	D-Glycero-D-gluco-heptose;gluco-Heptose (7CI);
Density:	1.637 g/cm³
Melting Point:	193oC
Boiling Point:	592.1 °C at 760 mmHg
Flash Point:	325.9 °C
Solubility:	86.76g/L(20 oC)
PSA:	138.45000
LogP:	-4.01790

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Specification

The D-Glucoheptose, with the CAS registry number of 62475-58-5, is also known as D-Glycero-D-gluco-heptose. It belongs to the product category of Dextrins, Sugar & Carbohydrates. This chemical's molecular formula is C₇H₁₄O₇ and molecular weight is 210.18. What's more, its IUPAC name is 2-(2, 4-Dimethoxybenzoyl)benzoic acid.

Physical properties about D-Glucoheptose are: (1)ACD/LogP: -4.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.07; (4)ACD/LogD (pH 7.4): -4.07; (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: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 72.45 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 43.66 cm³; (15)Molar Volume: 128.3 cm³; (16)Polarizability: 17.31×10^-24 cm³; (17)Surface Tension: 101 dyne/cm; (18)Density: 1.637 g/cm³; (19)Flash Point: 325.9 °C; (20)Enthalpy of Vaporization: 101.35 kJ/mol; (21)Boiling Point: 592.1 °C at 760 mmHg; (22)Vapour Pressure: 1.73E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
(2) InChI: InChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4+,5-,6+,7+/m0/s1
(3) InChIKey: YPZMPEPLWKRVLD-PJEQPVAWBP