3,4-DI-O-ACETYL-1,6-DIDEOXY-1,6-BIS(((METHYLNITROSOAMINO)CARBONYL)AMINO)-.BETA.-D-FRUCTOFURANOSYL 6-DEOXY-6-(((METHYLNITROSOAMINO)CARBONYL)AMINO)-,.ALPHA.-D-GLUCOPYRANOSIDE 2,3,4-TRIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H41N9O19
Molecular Weight	807.674
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,4-DI-O-ACETYL-1,6-DIDEOXY-1,6-BIS(((METHYLNITROSOAMINO)CARBONYL)AMINO)-.BETA.-D-FRUCTOFURANOSYL 6-DEOXY-6-(((METHYLNITROSOAMINO)CARBONYL)AMINO)-,.ALPHA.-D-GLUCOPYRANOSIDE 2,3,4-TRIACETATE

Structure Search

SMILES

CN(N=O)C(=O)NC[C@H]1O[C@@](CNC(=O)N(C)N=O)(O[C@H]2O[C@H](CNC(=O)N(C)N=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

InChI

InChIKey=SJCOKTCVINGXLY-FATZEVQUSA-N

InChI=1S/C28H41N9O19/c1-12(38)49-19-17(9-29-25(43)35(6)32-46)54-24(22(52-15(4)41)21(19)51-14(3)40)56-28(11-31-27(45)37(8)34-48)23(53-16(5)42)20(50-13(2)39)18(55-28)10-30-26(44)36(7)33-47/h17-24H,9-11H2,1-8H3,(H,29,43)(H,30,44)(H,31,45)/t17-,18-,19-,20-,21+,22-,23+,24-,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H41N9O19
Molecular Weight	807.674
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:42:17 GMT 2023` Edited by `admin` on `Sat Dec 16 12:42:17 GMT 2023`
Record UNII	5N8E75D5GO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,4-DI-O-ACETYL-1,6-DIDEOXY-1,6-BIS(((METHYLNITROSOAMINO)CARBONYL)AMINO)-.BETA.-D-FRUCTOFURANOSYL 6-DEOXY-6-(((METHYLNITROSOAMINO)CARBONYL)AMINO)-,.ALPHA.-D-GLUCOPYRANOSIDE 2,3,4-TRIACETATE

Systematic Name

English

NSC-263860

Code

English

.ALPHA.-D-GLUCOPYRANOSIDE, 3,4-DI-O-ACETYL-1,6-DIDEOXY-1,6-BIS(((METHYLNITROSOAMINO)CARBONYL)AMINO)-.BETA.-D-FRUCTOFURANOSYL 6-DEOXY-6-(((METHYLNITROSOAMINO)CARBONYL)AMINO)-, 2,3,4-TRIACETATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID40981965