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CAS No.: | 39999-42-3 |
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Name: | 1,4-anhydroribitol |
Article Data: | 43 |
Molecular Structure: | |
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 |
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