[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid

C9H14FN4O6P — CID 66967437

IUPAC[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
SMILESNc1ccn([C@@H]2O[C@H](COP(N)O)[C@@H](O)[C@]2(O)F)c(=O)n1
InChIInChI=1S/C9H14FN4O6P/c10-9(17)6(15)4(3-19-21(12)18)20-7(9)14-2-1-5(11)13-8(14)16/h1-2,4,6-7,15,17-18H,3,12H2,(H2,11,13,16)/t4-,6-,7-,9-,21?/m1/s1
InChIKeyGMDZSBXRRYKCDW-YVBZGMQISA-N
MW324.21 g/mol
LogP-2.06
Rot. Bonds4

About [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid

[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid (PubChem CID 66967437) has the molecular formula C9H14FN4O6P and a molecular weight of 324.21 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
PubChem CID66967437
Molecular FormulaC9H14FN4O6P
Molecular Weight324.21 g/mol
Exact Mass324.06
IUPAC Name[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
SMILESNc1ccn([C@@H]2O[C@H](COP(N)O)[C@@H](O)[C@]2(O)F)c(=O)n1
InChIInChI=1S/C9H14FN4O6P/c10-9(17)6(15)4(3-19-21(12)18)20-7(9)14-2-1-5(11)13-8(14)16/h1-2,4,6-7,15,17-18H,3,12H2,(H2,11,13,16)/t4-,6-,7-,9-,21?/m1/s1
InChIKeyGMDZSBXRRYKCDW-YVBZGMQISA-N
XLogP-2.06
TPSA166.08 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 22885886
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 90213479
4-amino-1-[3,3-difluoro-4-hydroxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10019846
4-amino-1-[(2R,3S,4R,5R)-4-deuterio-3-fluoro-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 175725100
[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 70228913
4-amino-1-[(2R,5R)-3,3-difluoro-4-hydroxy-5-(prop-1-enoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 167685078
4-amino-1-[(2R,4R,5S)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 6093357
4-amino-1-[(4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11054511
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl](213C,1,3-15N2)pyrimidin-2-one
CID 129010189
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 23725124
4-amino-1-[(2R,4R,5S)-5-(chloromethyl)-3,3-difluoro-4-hydroxyoxolan-2-yl]pyrimidin-2-one
CID 58364591
4-amino-1-[(2S,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
CID 117072635

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid?
The IUPAC name of [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid (CID 66967437) is [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid.
What is the SMILES notation for [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid?
The canonical SMILES for [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid is Nc1ccn([C@@H]2O[C@H](COP(N)O)[C@@H](O)[C@]2(O)F)c(=O)n1.
What is the InChIKey of [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid?
The InChIKey is GMDZSBXRRYKCDW-YVBZGMQISA-N. The full InChI is InChI=1S/C9H14FN4O6P/c10-9(17)6(15)4(3-19-21(12)18)20-7(9)14-2-1-5(11)13-8(14)16/h1-2,4,6-7,15,17-18H,3,12H2,(H2,11,13,16)/t4-,6-,7-,9-,21?/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid?
[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid has a molecular weight of 324.21 g/mol, XLogP of -2.06, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid is sourced from PubChem (CID 66967437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).