(-)-Neplanocin A

CAS Registry Number®

72877-50-0

CAS Name

(-)-Neplanocin A

Molecular Formula

C11H13N5O3

Molecular Mass

263.25

Cite this Page

(-)-Neplanocin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=72877-50-0 (retrieved 2024-11-22) (CAS RN: 72877-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    214-216 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1

InChIKey

InChIKey=XUGWUUDOWNZAGW-VDAHYXPESA-N

SMILES

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

Canonical SMILES

OCC1=CC(N2C=NC=3C(=NC=NC32)N)C(O)C1O

Other Names for this Substance

  • 3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, (1S,2R,5R)-
  • 3-Cyclopentene-1,2-diol, 5-(6-amino-9H-purin-9-yl)-3-(hydroxymethyl)-, [1S-(1α,2α,5β)]-
  • (1S,2R,5R)-5-(6-Amino-9H-purin-9-yl)-3-(hydroxymethyl)-3-cyclopentene-1,2-diol
  • Neplanocin A
  • (-)-Neplanocin A

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