5-碘-2'-脱氧胞苷

Description

5-iodo-2'-deoxycytidine · CAS 611-53-0 · C9H12IN3O4. UNII 3EK8532DZV. LogP: -0.94.

Identification

CAS Registry Number	611-53-0
PubChem CID	65050
Molecular formula	C9H12IN3O4
IUPAC name	4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidin-2-one
UNII (FDA)	3EK8532DZV

Computed Descriptors

Molecular Weight	353.11
XLogP3	-0.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	352.98725
Monoisotopic Mass	352.98725
Topological Polar Surface Area	108
Heavy Atom Count	17
Formal Charge	0

Physical & Chemical Properties

LogP	-0.94

GHS Hazard Classification

Reported hazard statements	H302 (100%)

Documented Uses

• 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.
• D06 - Antibiotics and chemotherapeutics for dermatological use
• D06B - Chemotherapeutics for topical use
• QD06 - Antibiotics and chemotherapeutics for dermatological use
• QD06B - Chemotherapeutics for topical use

Synonyms

5-Iodo-2'-deoxycytidine; 611-53-0; Ibacitabine; 2'-Deoxy-5-iodocytidine; Ibacitabinum; Ibacitabina; AI3-62629; NSC-527083; 3EK8532DZV; DTXSID50209985; 5-Iododeoxycytidine; Ibacitabin; Cuterpes; NSC527083; iododesoxycytidine; RefChem:147557

Frequently Asked Questions

What are the CAS number and molecular formula of 5-iodo-2'-deoxycytidine?

CAS 611-53-0; molecular formula C9H12IN3O4; molecular weight — g/mol.

What other names is 5-iodo-2'-deoxycytidine known by?

5-Iodo-2'-deoxycytidine, 611-53-0, Ibacitabine, 2'-Deoxy-5-iodocytidine, Ibacitabinum, Ibacitabina.

Is 5-iodo-2'-deoxycytidine classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of 5-iodo-2'-deoxycytidine?

LogP: -0.94.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.