(2R,3R,4R,5S,6R)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H35ClO11
Molecular Weight	619.056
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

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@H]4CCOC4)C=C3)=C2

InChI

InChIKey=IVTYEGRDCQLUJE-CKAXPBQUSA-N

InChI=1S/C31H35ClO11/c1-17(33)38-16-27-29(39-18(2)34)31(41-20(4)36)30(40-19(3)35)28(43-27)22-7-10-26(32)23(14-22)13-21-5-8-24(9-6-21)42-25-11-12-37-15-25/h5-10,14,25,27-31H,11-13,15-16H2,1-4H3/t25-,27+,28+,29+,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H35ClO11
Molecular Weight	619.056
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:41:40 GMT 2025` Edited by `admin` on `Wed Apr 02 17:41:40 GMT 2025`
Record UNII	225NNC5FKZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2R,3R,4R,5S,6R)-2-(Acetoxymethyl)-6-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Systematic Name

English

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

Preferred Name

English

Code System Code Type Description

FDA UNII

225NNC5FKZ

Created by admin on Wed Apr 02 17:41:40 GMT 2025 , Edited by admin on Wed Apr 02 17:41:40 GMT 2025

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CAS

1620758-27-1

Created by admin on Wed Apr 02 17:41:40 GMT 2025 , Edited by admin on Wed Apr 02 17:41:40 GMT 2025

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