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39999-42-3

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Basic Information
CAS No.: 39999-42-3
Name: 1,4-anhydroribitol
Article Data: 43
Molecular Structure:
Molecular Structure of 39999-42-3 (1,4-anhydroribitol)
Formula: C5H10O4
Molecular Weight: 134.132
Synonyms: 1,4-Anhydroribitol;
EINECS: 254-741-1
Density: 1.453 g/cm3
Boiling Point: 337.667 °C at 760 mmHg
Flash Point: 158.016 °C
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Specification

The Ribitol, 1, 4-anhydro-, with the CAS registry number of 39999-42-3, is also known as 1, 4-Anhydroribitol. Its EINECS registry number is 254-741-1. This chemical's molecular formula is C5H10O4 and molecular weight is 134.1305. What's more, its systematic name is called 1, 4-Anhydro-D-ribitol.

Physical properties about Ribitol, 1, 4-anhydro- are: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9; (8)ACD/KOC (pH 7.4): 9; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 69.92 Å2; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 29.462 cm3; (15)Molar Volume: 92.304 cm3; (16)Surface Tension: 62.264 dyne/cm; (17)Density: 1.453 g/cm3; (18)Flash Point: 158.016 °C; (19)Enthalpy of Vaporization: 67.301 kJ/mol; (20)Boiling Point: 337.667 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC[C@H]1OC[C@H](O)[C@@H]1O
(2) InChI: InChI=1/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1
(3) InChIKey: KZVAAIRBJJYZOW-LMVFSUKVBF