Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)

[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

Also Known As: Methylene-Az-ddTDP|Thymidine, 3'-azido-3'-deoxy-, 5'-(hydrogen (phosphonomethyl)phosphonate)|3'-Azido-3'-deoxy-5'-thymidinealpha,beta-methylenediophosphate|3'-Azido-3'-deoxy-5'-thymidine.alpha.,.beta.-methylenediophosphate|3'-Azido-3'-deoxy-5'-O-[hydroxy(phosphonomethyl)phosphoryl]thymidine|Thymidine, 3'-azido-3'-deoxy-, 5'-[hydrogen (phosphonomethyl)phosphonate]|Thymidine,3'-azido-3'-deoxy-, 5'-[hydrogen (phosphonomethyl)phosphonate] (9CI)|[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methylphosphonic acid|[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid

Molecular Formula	C11H17N5O9P2
Molecular Weight	425.05014 g/mol
LogP	-2.3
Topological Polar Surface Area	177.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	425.05014
Monoisotopic Mass	425.05014
Heavy Atoms	27
Complexity	804.0

Chemical Identifiers

CAS Number	115991-79-2
SMILES	CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CP(=O)(O)O)O)N=[N+]=[N-]
InChIKey	DNHWKXJFBOJNEC-DJLDLDEBSA-N