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Oxetanocin

Oxetanocin structure

CAS No:
103913-16-2
Formula:
C10H13N5O3
Chemical Name:
Oxetanocin
Synonyms:
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;Oxetanocin
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Oxetanocin A is a nucleoside analogue found in Bacillus megaterium in which an adenine moiety is attached to position 2 of a of an oxetane ring which is substituted at positions 3 and 4 by hydroxymethyl groups. It has a role as a bacterial metabolite, an antibacterial agent and an anti-HIV agent. It is a member of oxetanes, a nucleoside analogue, a primary alcohol and a diol. It derives from an adenine.

Oxetanocin Basic Attributes

Molecular Weight：

251.24 g/mol

Exact Mass：

251.24

DSSTox ID：

DTXSID70146141

Characteristics

PSA：

119 Å²

Melting Point：

197 °C

Drug Information

MeSH：

Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)|Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

MeSH Entry Terms：

9-(3,4-bis(hydroxymethyl)-2-oxetanyl)adenine

Computed Properties

Molecular Weight:251.24
XLogP3:-1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:251.10183929
Monoisotopic Mass:251.10183929
Topological Polar Surface Area:119
Heavy Atom Count:18
Complexity:307
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes