Oxetanocin

CAS Registry Number®

103913-16-2
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CAS Name

Oxetanocin

Molecular Formula

C10H13N5O3

Molecular Mass

251.24

Cite this Page

Oxetanocin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103913-16-2 (retrieved 2024-06-26) (CAS RN: 103913-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    197 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-5(1-16)6(2-17)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6-,10-/m1/s1

InChIKey

InChIKey=LMJVXGOFWKVXAW-OXOINMOOSA-N

SMILES

C(O)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@@H]1CO

Canonical SMILES

OCC1OC(N2C=NC=3C(=NC=NC32)N)C1CO

Other Names for this Substance

  • 2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, (2S,3R,4R)-
  • 2,3-Oxetanedimethanol, 4-(6-amino-9H-purin-9-yl)-, [2S-(2α,3β,4α)]-
  • (2S,3R,4R)-4-(6-Amino-9H-purin-9-yl)-2,3-oxetanedimethanol
  • NK 84-0218
  • Oxetanocin A

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