O-4-O-[(2,3-Dihydroxypropoxy)hydroxyphosphinyl]-α-D-glucopyranosyl-(1→4)-O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H49O26P
Molecular Weight	820.6361
Optical Activity	UNSPECIFIED
Defined Stereocenters	20 / 21
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-4-O-[(2,3-Dihydroxypropoxy)hydroxyphosphinyl]-α-D-glucopyranosyl-(1→4)-O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Structure Search

SMILES

OCC(O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)O[C@@H]1CO

InChI

InChIKey=AOXNQGPDZJZYKL-HCQCMHBCSA-N

InChI=1S/C27H49O26P/c28-1-7(33)6-45-54(43,44)53-22-11(5-32)49-25(18(40)15(22)37)50-21-10(4-31)48-26(17(39)14(21)36)52-23-12(34)8(2-29)47-27(19(23)41)51-20-9(3-30)46-24(42)16(38)13(20)35/h7-42H,1-6H2,(H,43,44)/t7?,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23+,24-,25-,26-,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H49O26P
Molecular Weight	820.6361
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	20 / 21
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:08:59 GMT 2023` Edited by `admin` on `Sat Dec 16 20:08:59 GMT 2023`
Record UNII	YH7JKA8CJ2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-4-O-[(2,3-Dihydroxypropoxy)hydroxyphosphinyl]-α-D-glucopyranosyl-(1→4)-O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose

Common Name

English

β-D-Glucopyranose, O-4-O-[(2,3-dihydroxypropoxy)hydroxyphosphinyl]-α-D-glucopyranosyl-(1→4)-O-α-D-galactopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-

Common Name

English

Pneumococcal Serotype 11A tetrasaccharide with glycerol-PO4 moiety

Common Name

English

Code System Code Type Description

CAS

1160241-07-5

Created by admin on Sat Dec 16 20:08:59 GMT 2023 , Edited by admin on Sat Dec 16 20:08:59 GMT 2023

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FDA UNII

YH7JKA8CJ2

Created by admin on Sat Dec 16 20:08:59 GMT 2023 , Edited by admin on Sat Dec 16 20:08:59 GMT 2023

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