2-(Acetoxymethyl)-6-(4-chloro-3-(4-hydroxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, (2R,3R,4R,5S,6S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H29ClO10
Molecular Weight	548.966
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(Acetoxymethyl)-6-(4-chloro-3-(4-hydroxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, (2R,3R,4R,5S,6S)-

Structure Search

SMILES

CC(=O)OC[C@H]1O[C@H]([C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)C2=CC=C(Cl)C(CC3=CC=C(O)C=C3)=C2

InChI

InChIKey=IPPDHWALLUPDNH-MMKSVXGCSA-N

InChI=1S/C27H29ClO10/c1-14(29)34-13-23-25(35-15(2)30)27(37-17(4)32)26(36-16(3)31)24(38-23)19-7-10-22(28)20(12-19)11-18-5-8-21(33)9-6-18/h5-10,12,23-27,33H,11,13H2,1-4H3/t23-,24+,25-,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H29ClO10
Molecular Weight	548.966
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:23:21 GMT 2025` Edited by `admin` on `Wed Apr 02 14:23:21 GMT 2025`
Record UNII	MD3JNP9MXP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(Acetoxymethyl)-6-(4-chloro-3-(4-hydroxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, (2R,3R,4R,5S,6S)-

Systematic Name

English

(2R,3R,4R,5S,6S)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-hydroxybenzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Preferred Name

English

D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-hydroxyphenyl)methyl]phenyl]-, 2,3,4,6-tetraacetate, (1S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

MD3JNP9MXP

Created by admin on Wed Apr 02 14:23:21 GMT 2025 , Edited by admin on Wed Apr 02 14:23:21 GMT 2025

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CAS

1079083-63-8

Created by admin on Wed Apr 02 14:23:21 GMT 2025 , Edited by admin on Wed Apr 02 14:23:21 GMT 2025

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PUBCHEM

67115824

Created by admin on Wed Apr 02 14:23:21 GMT 2025 , Edited by admin on Wed Apr 02 14:23:21 GMT 2025

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