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

C9H16N5O5P — CID 70228913

IUPAC[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid
SMILESNc1ccn([C@@H]2O[C@H](COP(N)O)[C@@H](O)[C@H]2N)c(=O)n1
InChIInChI=1S/C9H16N5O5P/c10-5-1-2-14(9(16)13-5)8-6(11)7(15)4(19-8)3-18-20(12)17/h1-2,4,6-8,15,17H,3,11-12H2,(H2,10,13,16)/t4-,6-,7-,8-,20?/m1/s1
InChIKeyZHFNIABQJZUQNQ-RORGUDSGSA-N
MW305.23 g/mol
LogP-2.39
Rot. Bonds4

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

[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid (PubChem CID 70228913) has the molecular formula C9H16N5O5P and a molecular weight of 305.23 g/mol. Its IUPAC name is [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid.

Molecular Properties

Compound Name[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid
PubChem CID70228913
Molecular FormulaC9H16N5O5P
Molecular Weight305.23 g/mol
Exact Mass305.09
IUPAC Name[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid
SMILESNc1ccn([C@@H]2O[C@H](COP(N)O)[C@@H](O)[C@H]2N)c(=O)n1
InChIInChI=1S/C9H16N5O5P/c10-5-1-2-14(9(16)13-5)8-6(11)7(15)4(19-8)3-18-20(12)17/h1-2,4,6-8,15,17H,3,11-12H2,(H2,10,13,16)/t4-,6-,7-,8-,20?/m1/s1
InChIKeyZHFNIABQJZUQNQ-RORGUDSGSA-N
XLogP-2.39
TPSA171.87 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 5-2.39
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,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;aminophosphonous acid
CID 70228912
4-amino-1-[(2R,3S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71209795
4-amino-1-[(2R,3R,4S,5R)-5-[[amino(methoxy)phosphanyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
CID 67679738
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54100591
[(2R,3R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-fluoro-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 66967437
[(2R,3R,5R)-5-(4-(15N)azanyl-2-oxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494410
[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-trihydroxyphosphanium
CID 176805301
[(4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171699509
D-Cytidine 5'-monophosphate disodium salt
CID 66820829
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid?
The IUPAC name of [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid (CID 70228913) is [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid.
What is the SMILES notation for [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid?
The canonical SMILES for [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid is Nc1ccn([C@@H]2O[C@H](COP(N)O)[C@@H](O)[C@H]2N)c(=O)n1.
What is the InChIKey of [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid?
The InChIKey is ZHFNIABQJZUQNQ-RORGUDSGSA-N. The full InChI is InChI=1S/C9H16N5O5P/c10-5-1-2-14(9(16)13-5)8-6(11)7(15)4(19-8)3-18-20(12)17/h1-2,4,6-8,15,17H,3,11-12H2,(H2,10,13,16)/t4-,6-,7-,8-,20?/m1/s1.
What are the key properties of [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid?
[(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid has a molecular weight of 305.23 g/mol, XLogP of -2.39, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4R,5R)-4-amino-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxyphosphonamidous acid is sourced from PubChem (CID 70228913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).