[(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid

C14H21N6O6P — CID 10620980

IUPAC[(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCOC(=O)C(C)NP(=O)(O)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)CO1
InChIInChI=1S/C14H21N6O6P/c1-8(14(21)24-2)19-27(22,23)26-5-10-3-9(4-25-10)20-7-18-11-12(15)16-6-17-13(11)20/h6-10H,3-5H2,1-2H3,(H2,15,16,17)(H2,19,22,23)/t8?,9-,10-/m1/s1
InChIKeyPYVQKRNZHKYLJH-VXRWAFEHSA-N
MW400.33 g/mol
LogP0.01
Rot. Bonds7

About [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid

[(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid (PubChem CID 10620980) has the molecular formula C14H21N6O6P and a molecular weight of 400.33 g/mol. Its IUPAC name is [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid.

Molecular Properties

Compound Name[(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
PubChem CID10620980
Molecular FormulaC14H21N6O6P
Molecular Weight400.33 g/mol
Exact Mass400.13
IUPAC Name[(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCOC(=O)C(C)NP(=O)(O)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)CO1
InChIInChI=1S/C14H21N6O6P/c1-8(14(21)24-2)19-27(22,23)26-5-10-3-9(4-25-10)20-7-18-11-12(15)16-6-17-13(11)20/h6-10H,3-5H2,1-2H3,(H2,15,16,17)(H2,19,22,23)/t8?,9-,10-/m1/s1
InChIKeyPYVQKRNZHKYLJH-VXRWAFEHSA-N
XLogP0.01
TPSA163.71 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 155679792
[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid
CID 3003367
benzyl (2S)-2-[[[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 121373788
benzyl (2S)-2-[[[(2S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 152891115
benzyl (2S)-2-[[[(4R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 165172903
[5-(6-amino-2-chloropurin-9-yl)-4-fluorooxolan-2-yl]methoxy-N-(1-ethoxy-1-oxopropan-2-yl)phosphonamidic acid
CID 123978102
2-ethylbutyl (2S)-2-[[[(2S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 176945058
[(2S,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
CID 173002973
methyl 2-[[[(2S,5S)-2-(6-aminopurin-9-yl)spiro[2.2]pentan-5-yl]methoxy-phenoxyphosphoryl]amino]propanoate
CID 10322564
[(2S,5R)-5-aminooxolan-2-yl]methyl propan-2-yl hydrogen phosphate;(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol
CID 138857899
methyl 2-[(1R,3R)-3-(6-aminopurin-9-yl)cyclopentyl]acetate
CID 15659288
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The IUPAC name of [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid (CID 10620980) is [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid.
What is the SMILES notation for [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The canonical SMILES for [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid is COC(=O)C(C)NP(=O)(O)OC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)CO1.
What is the InChIKey of [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The InChIKey is PYVQKRNZHKYLJH-VXRWAFEHSA-N. The full InChI is InChI=1S/C14H21N6O6P/c1-8(14(21)24-2)19-27(22,23)26-5-10-3-9(4-25-10)20-7-18-11-12(15)16-6-17-13(11)20/h6-10H,3-5H2,1-2H3,(H2,15,16,17)(H2,19,22,23)/t8?,9-,10-/m1/s1.
What are the key properties of [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
[(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid has a molecular weight of 400.33 g/mol, XLogP of 0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid is sourced from PubChem (CID 10620980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).