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|...

General Information

Structure

Molecular Formula

C₁₆H₂₂O₇S

Molecular Mass

358.40668

Exact Mass

358.10862404

Charge

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.6074586

LogD (pH = 7.4)

2.6074586

Log P

2.6074586

Molar Refractivity

84.8618

Polarizability

34.925518

Polar Surface Area

80.29

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

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 Traditional name

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

IUPAC name

[(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

Names and Identifiers

Registration numbers

CAS Number

4137-56-8

PubChem SID

24896749162091067

MDL Number

MFCD00038411