Visa Chem

CAS 461432-24-6

Chemistry, 2 End Use API, 75 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

2 Suppliers

Also known as: 461432-24-6, Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucopyranoside, Schembl1551581, Dtxsid601148940, Cs-13058, Cs-0009474

Molecular Formula

C₂₂H₂₇ClO₇

Molecular Weight

438.9 g/mol

InChI Key

GKTWLVVOULBRDU-VEIQOZLZSA-N

1 2D Structure

CAS 461432-24-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

2.1.2 InChI

InChI=1S/C22H27ClO7/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22/h4-9,11,18-21,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22?/m1/s1

2.1.3 InChI Key

GKTWLVVOULBRDU-VEIQOZLZSA-N

2.1.4 Canonical SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)O)O)O)OC)Cl

2.1.5 Isomeric SMILES

CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 461432-24-6

2. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucopyranoside

3. Schembl1551581

4. Dtxsid601148940

5. Cs-13058

6. Cs-0009474

7. D-glucopyranoside,methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

8. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]d-glucopyranoside

9. (3r,4s,5s,6r)-2-(3-(4-ethoxybenzyl)-4-chlorophenyl)-6-(hydroxymethyl)-2-methoxy-tetrahydro-2h-pyran-3,4,5-triol

10. (3r,4s,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₇ClO₇
Molecular Weight	438.9 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	438.1445309 g/mol
Monoisotopic Mass	438.1445309 g/mol
Topological Polar Surface Area	109 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	530
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Reset Filter

Ask Us

Upload your Marketing & Sales content on your company Virtual Booth, click HERE

Post an Enquiry

India

Virtual Booth

Digital Content

2-chloro-5-Bromo benzoic acid

PDF Supplier PDF

URL Supplier Web Content

CAS Number

21739-92-4

End Use API

Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the...

Visa Chem Pvt Ltd stands alongside Chemical Abstracts Services in supporting the Visa Chem goal to be the most authoritative, comprehensive, and indispensable provider of chemistry-related information, in keeping with the Visa Chem Vision of Improving People’s Lives Through the Transforming Power of Chemistry. Visa Chem mostly contains small molecules, but also larger molecules. Chemical compounds including drugs, Nucleotide including siRNAs and miRNAs, Carbohydrates, Lipids, Peptides, Chemically-modified macro molecules

ASK
US