Validamycin A

CAS Registry Number®

37248-47-8

CAS Name

Validamycin A

Molecular Formula

C20H35NO13

Molecular Mass

497.49

Cite this Page

Validamycin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58194-43-7 (retrieved 2024-11-23) (CAS RN: 37248-47-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-135 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1

InChIKey

InChIKey=JARYYMUOCXVXNK-CSLFJTBJSA-N

SMILES

O([C@@H]1[C@@H](CO)C[C@H](N[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

Other Names for this Substance

  • D-chiro-Inositol, 1,5,6-trideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-
  • D-chiro-Inositol, 1,5,6-trideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-[[4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-, [1S-(1α,4α,5β,6α)]-
  • 1,5,6-Trideoxy-4-O-β-D-glucopyranosyl-5-(hydroxymethyl)-1-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl]amino]-D-chiro-inositol
  • Validamycin A
  • Validacin

View All

Deleted or Replaced CAS Registry Numbers

58194-43-7, 75661-94-8

CAS INSIGHTSTM
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