5-Amino-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronic acid

CAS Registry Number®

21027-33-8

CAS Name

5-Amino-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronic acid

Molecular Formula

C11H15N3O8

Molecular Mass

317.25

Cite this Page

5-Amino-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21027-33-8 (retrieved 2025-01-03) (CAS RN: 21027-33-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    247-261 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C11H15N3O8/c12-4(10(19)20)7-5(16)6(17)9(22-7)14-1-3(2-15)8(18)13-11(14)21/h1,4-7,9,15-17H,2,12H2,(H,19,20)(H,13,18,21)/t4-,5-,6+,7+,9+/m0/s1

InChIKey

InChIKey=TZQKKPBFBDTCRN-AJDRIWCOSA-N

SMILES

O[C@H]1[C@@H](O[C@]([C@@H](C(O)=O)N)([C@H]1O)[H])N2C=C(CO)C(=O)NC2=O

Canonical SMILES

O=C(O)C(N)C1OC(N2C=C(C(=O)NC2=O)CO)C(O)C1O

Other Names for this Substance

  • β-D-Allofuranuronic acid, 5-amino-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-
  • Allofuranuronic acid, 5-amino-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-, β-D-
  • 5-Amino-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronic acid
  • Polyoxin C

Deleted or Replaced CAS Registry Numbers

11043-74-6

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