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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

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

Approval Year

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
Created by admin on Sat Dec 16 12:42:17 GMT 2023 , Edited by admin on Sat Dec 16 12:42:17 GMT 2023
PRIMARY
PUBCHEM
90679817
Created by admin on Sat Dec 16 12:42:17 GMT 2023 , Edited by admin on Sat Dec 16 12:42:17 GMT 2023
PRIMARY
FDA UNII
5N8E75D5GO
Created by admin on Sat Dec 16 12:42:17 GMT 2023 , Edited by admin on Sat Dec 16 12:42:17 GMT 2023
PRIMARY
CAS
64021-91-6
Created by admin on Sat Dec 16 12:42:17 GMT 2023 , Edited by admin on Sat Dec 16 12:42:17 GMT 2023
PRIMARY
NSC
263860
Created by admin on Sat Dec 16 12:42:17 GMT 2023 , Edited by admin on Sat Dec 16 12:42:17 GMT 2023
PRIMARY