Polyoxin B

CAS Registry Number®

19396-06-6

CAS Name

Polyoxin B

Molecular Formula

C17H25N5O13

Molecular Mass

507.41

Cite this Page

Polyoxin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=19396-06-6 (retrieved 2024-11-22) (CAS RN: 19396-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    150-153 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9-,10+,11+,14+/m0/s1

InChIKey

InChIKey=YFZNSPMAOIVQRP-YVKGXWRCSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • β-D-Allofuranuronic acid, 5-[[2-amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-
  • Polyoxin B
  • Allofuranuronic acid, 5-(2-amino-2-deoxy-L-xylonamido)-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-, monocarbamate (ester), β-D-
  • 5-[[2-Amino-5-O-(aminocarbonyl)-2-deoxy-L-xylonoyl]amino]-1,5-dideoxy-1-[3,4-dihydro-5-(hydroxymethyl)-2,4-dioxo-1(2H)-pyrimidinyl]-β-D-allofuranuronic acid
  • Milpan

View All

Deleted or Replaced CAS Registry Numbers

11016-32-3, 24695-50-9