(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid

CAS Registry Number®

87913-21-1

CAS Name

(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid

Molecular Formula

C11H17N2O11PS

Molecular Mass

416.30

Cite this Page

(+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87913-21-1 (retrieved 2024-11-23) (CAS RN: 87913-21-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C11H17N2O11PS/c1-3(14)13-10(8(16)17)2-26-5-4(23-10)6(15)11(12,9(18)19)7(5)24-25(20,21)22/h4-7,15H,2,12H2,1H3,(H,13,14)(H,16,17)(H,18,19)(H2,20,21,22)/t4-,5-,6-,7-,10-,11-/m0/s1

InChIKey

InChIKey=PUWHRRRUTHFINT-DPKHFTIHSA-N

SMILES

O(P(=O)(O)O)[C@H]1[C@@]2([C@](O[C@](NC(C)=O)(C(O)=O)CS2)([C@H](O)[C@]1(C(O)=O)N)[H])[H]

Canonical SMILES

O=C(O)C1(OC2C(O)C(N)(C(=O)O)C(OP(=O)(O)O)C2SC1)NC(=O)C

Other Names for this Substance

  • 5H-Cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid, 2-(acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-, (2R,4aS,5R,6S,7R,7aR)-(+)-
  • (+)-(2R,4aS,5R,6S,7R,7aR)-2-(Acetylamino)-6-aminohexahydro-7-hydroxy-5-(phosphonooxy)-5H-cyclopent[b]-1,4-oxathiin-2,6-dicarboxylic acid
  • Tagetitoxin
  • Tagetin
  • (+)-Tagetitoxin

CAS INSIGHTSTM
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