Basic information
- Name:
L-Lyxofuranose,4-C-[(phenylmethoxy)methyl]-3-O-(phenylmethyl)-, 1,2-diacetate5-methanesulfonate
- Superlist Name:
- 4-(Methanesulfonyloxymethyl)-1,2-O-diacetoxy-3,5-O-dibenzyl-alpha-D-erythro-pentofuranose
- CAS No.:
221229-65-8
- Molecular Structure:
![Molecular Structure of 221229-65-8 (L-Lyxofuranose,4-C-[(phenylmethoxy)methyl]-3-O-(phenylmethyl)-, 1,2-diacetate5-methanesulfonate)](http://www.lookchem.com/300w/2010/077/221229-65-8.jpg)
- Formula:
- C25H30O10S
- Molecular Weight:
- 522.56
- Synonyms:
- 4-(Methanesulfonyloxymethyl)-1,2-O-diacetoxy-3,5-O-dibenzyl-alpha-D-erythro-pentofuranose;4-C-[(Phenylmethoxy)methyl]-3-O-(phenylmethyl)-L-lyxofuranose 1,2-diacetate 5-methanesulfonate;
- Density:
- 1.325 g/cm3
- Boiling Point:
- 642.743 °C at 760 mmHg
- Flash Point:
- 342.519 °C
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Specification
The cas register number of 4-(Methanesulfonyloxymethyl)-1,2-O-diacetoxy-3,5-O-dibenzyl-alpha-D-erythro-pentofuranose is 221229-65-8. It also can be called as 4-C-[(Phenylmethoxy)methyl]-3-O-(phenylmethyl)-L-lyxofuranose 1,2-diacetate 5-methanesulfonate and the Systematic name about this chemical is 4-(benzyloxy)-5-[(benzyloxy)methyl]-5-{[(methylsulfonyl)oxy]methyl}tetrahydrofuran-2,3-diyl diacetate (non-preferred name).
Physical properties about 4-(Methanesulfonyloxymethyl)-1,2-O-diacetoxy-3,5-O-dibenzyl-alpha-D-erythro-pentofuranose are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1629; (6)ACD/BCF (pH 7.4): 1629; (7)ACD/KOC (pH 5.5): 6931; (8)ACD/KOC (pH 7.4): 6931; (9)#H bond acceptors: 10; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 132.04Å2; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 129.062 cm3; (14)Molar Volume: 394.401 cm3; (15)Polarizability: 51.164x10-24cm3; (16)Surface Tension: 54.401 dyne/cm; (17)Enthalpy of Vaporization: 94.855 kJ/mol.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)OC3OC(COCc1ccccc1)(COS(C)(=O)=O)C(OCc2ccccc2)C3OC(C)=O
(2)InChI: InChI=1/C25H30O10S/c1-18(26)33-22-23(31-15-21-12-8-5-9-13-21)25(17-32-36(3,28)29,35-24(22)34-19(2)27)16-30-14-20-10-6-4-7-11-20/h4-13,22-24H,14-17H2,1-3H3
(3)InChIKey: DZNOYTCPAYPNAK-UHFFFAOYAM
(4)Std. InChl: InChI=1S/C25H30O10S/c1-18(26)33-22-23(31-15-21-12-8-5-9-13-21)25(17-32-36(3,28)29,35-24(22)34-19(2)27)16-30-14-20-10-6-4-7-11-20/h4-13,22-24H,14-17H2,1-3H3
(5)Std. InChIKey: DZNOYTCPAYPNAK-UHFFFAOYSA-N
