[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

C20H25N6O6P — CID 24822594

IUPAC[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
SMILESNc1ncnc2c1nc(-c1ccccc1)n2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)N2CCOCC2)O1
InChIInChI=1S/C20H25N6O6P/c21-18-17-20(23-12-22-18)26(19(24-17)13-4-2-1-3-5-13)16-10-14(27)15(32-16)11-31-33(28,29)25-6-8-30-9-7-25/h1-5,12,14-16,27H,6-11H2,(H,28,29)(H2,21,22,23)/t14-,15+,16+/m0/s1
InChIKeyMNUNMVVYRGJMKU-ARFHVFGLSA-N
MW476.43 g/mol
LogP1.17
Rot. Bonds6

About [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid

[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid (PubChem CID 24822594) has the molecular formula C20H25N6O6P and a molecular weight of 476.43 g/mol. Its IUPAC name is [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid.

Molecular Properties

Compound Name[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
PubChem CID24822594
Molecular FormulaC20H25N6O6P
Molecular Weight476.43 g/mol
Exact Mass476.16
IUPAC Name[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid
SMILESNc1ncnc2c1nc(-c1ccccc1)n2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)N2CCOCC2)O1
InChIInChI=1S/C20H25N6O6P/c21-18-17-20(23-12-22-18)26(19(24-17)13-4-2-1-3-5-13)16-10-14(27)15(32-16)11-31-33(28,29)25-6-8-30-9-7-25/h1-5,12,14-16,27H,6-11H2,(H,28,29)(H2,21,22,23)/t14-,15+,16+/m0/s1
InChIKeyMNUNMVVYRGJMKU-ARFHVFGLSA-N
XLogP1.17
TPSA158.08 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 51.17
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

sodium [(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 24824598
1-[4-[4-[6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]phenyl]phenyl]ethanone
CID 139184636
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584681
[(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 57297101
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 12599
(2R,3S,5R)-5-[6-amino-8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584459
2 inverted exclamation marka-Deoxyadenosine-5 inverted exclamation marka-monophosphate Sodium salt
CID 156592426
(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 163296362
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol
CID 23584339
CID 131880854
CID 131880854
[(2R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-methylphosphinic acid
CID 88971157
7-amino-13-hydroxy-15-oxa-2,4,6,9-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-3,5,7,9-tetraen-11-one
CID 155887050

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The IUPAC name of [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid (CID 24822594) is [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid.
What is the SMILES notation for [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The canonical SMILES for [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid is Nc1ncnc2c1nc(-c1ccccc1)n2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)N2CCOCC2)O1.
What is the InChIKey of [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
The InChIKey is MNUNMVVYRGJMKU-ARFHVFGLSA-N. The full InChI is InChI=1S/C20H25N6O6P/c21-18-17-20(23-12-22-18)26(19(24-17)13-4-2-1-3-5-13)16-10-14(27)15(32-16)11-31-33(28,29)25-6-8-30-9-7-25/h1-5,12,14-16,27H,6-11H2,(H,28,29)(H2,21,22,23)/t14-,15+,16+/m0/s1.
What are the key properties of [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid?
[(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid has a molecular weight of 476.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-(6-amino-8-phenylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-morpholin-4-ylphosphinic acid is sourced from PubChem (CID 24822594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).