DRM

{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID

Created:	2003-09-17
Last modified:	2020-05-27

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1 entries where DRM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	35
Aromatic Bond Count	0

2D diagram of DRM

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Chemical Component Summary
Name	{[(1R,2S)-2-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOPENTYL]OXY}METHYLPHOSPHONIC ACID
Synonyms	1-TRANS-(2-PHOSPHONOMETHOXYCYCLOPENTYL)URACIL; PMCP-U
Systematic Name (OpenEye OEToolkits)	[(1R,2R)-2-(2,4-dioxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
Formula	C₁₀ H₁₅ N₂ O₆ P
Molecular Weight	290.21
Type	DNA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(O)(O)COC2CCCC2N1C=CC(=O)NC1=O
SMILES	CACTVS	3.341	O[P](O)(=O)CO[CH]1CCC[CH]1N2C=CC(=O)NC2=O
SMILES	OpenEye OEToolkits	1.5.0	C1CC(C(C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O
Canonical SMILES	CACTVS	3.341	O[P](O)(=O)CO[C@@H]1CCC[C@H]1N2C=CC(=O)NC2=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@H]([C@@H](C1)OCP(=O)(O)O)N2C=CC(=O)NC2=O
InChI	InChI	1.03	InChI=1S/C10H15N2O6P/c13-9-4-5-12(10(14)11-9)7-2-1-3-8(7)18-6-19(15,16)17/h4-5,7-8H,1-3,6H2,(H,11,13,14)(H2,15,16,17)/t7-,8-/m1/s1
InChIKey	InChI	1.03	KKXMDNJBVSYDQL-HTQZYQBOSA-N

Related Resource References

Resource Name	Reference
PubChem	448051
ChEBI	CHEBI:42248

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