CAS 4137-56-8|METHYL 2,3-O-ISOPROPYLIDENE-5-O-(p-TOLYLSULFONYL)-β-D-RIBOFURANOSIDE|[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl 4-methylbenzenesulfonate|...

基本信息

化学结构

分子式

C₁₆H₂₂O₇S

分子量

358.40668

精确质量

358.10862404

电荷

InChI

InChI=1S/C16H22O7S/c1-10-5-7-11(8-6-10)24(17,18)20-9-12-13-14(15(19-4)21-12)23-16(2,3)22-13/h5-8,12-15H,9H2,1-4H3/t12-,13-,14-,15-/m1/s1

InChIKey

IAPMZKRZMYQZSW-KBUPBQIOSA-N

Canonic Smiles

CO[C@@H]1O[C@@H]([C@@H]2[C@H]1OC(O2)(C)C)COS(=O)(=O)c1ccc(cc1)C

Isomeric Smiles

CC1(C)O[C@@H]2[C@H](O[C@@H](OC)[C@@H]2O1)COS(=O)(=O)c1ccc(C)cc1

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

2.6074586

LogD (pH = 7.4)

2.6074586

Log P

2.6074586

摩尔折射率

84.8618

极化性

34.925518

极化表面积

80.29

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

METHYL 2,3-O-ISOPROPYLIDENE-5-O-(p-TOLYLSULFONYL)-β-D-RIBOFURANOSIDEMethyl 2,3-O-isopropylidene-5-O-(p-tolylsulfonyl)-β-D-ribofuranosideMethyl 2,3-O-(1-Methylethylidene)-β-D-ribofuranoside 5-(4-Methylbenzenesulfonate)Methyl 2,3-O-Isopropylidene-5-O-p-tolylsulfonyl-β-D-ribofuranosideNSC 85192Methyl 2,3-O-Isopropylidene-5-O-tosyl-β-D-ribofuranoside

IUPAC传统名

[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl 4-methylbenzenesulfonate

IUPAC标准名

[(3aR,4R,6R,6aR)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]methyl 4-methylbenzene-1-sulfonate

名称和标识

数据登录号

CAS号

4137-56-8

PubChem SID

24896749162091067

MDL号

MFCD00038411