(2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol

C10H16N5O4P — CID 155282484

IUPAC(2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP)C(O)C3O)C2N=CN1
InChIInChI=1S/C10H16N5O4P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(19-10)1-18-20/h2-4,6-7,9-10,16-17H,1,11,20H2,(H,12,13)/t4-,6?,7?,9?,10-/m1/s1
InChIKeyMSVQUDXNYRULJI-JGUFVVNASA-N
MW301.24 g/mol
LogP-2.33
Rot. Bonds3

About (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol

(2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol (PubChem CID 155282484) has the molecular formula C10H16N5O4P and a molecular weight of 301.24 g/mol. Its IUPAC name is (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol
PubChem CID155282484
Molecular FormulaC10H16N5O4P
Molecular Weight301.24 g/mol
Exact Mass301.09
IUPAC Name(2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol
SMILESNC1=C2N=CN([C@@H]3O[C@H](COP)C(O)C3O)C2N=CN1
InChIInChI=1S/C10H16N5O4P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(19-10)1-18-20/h2-4,6-7,9-10,16-17H,1,11,20H2,(H,12,13)/t4-,6?,7?,9?,10-/m1/s1
InChIKeyMSVQUDXNYRULJI-JGUFVVNASA-N
XLogP-2.33
TPSA124.93 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(cyclohexyloxymethyl)oxolane-3,4-diol
CID 18646883
[(2R,3S,4R,5R)-5-(6-amino-1,4-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2S)-2-amino-4-methylsulfanylbutyl] hydrogen phosphate
CID 137349758
2-(6-amino-3-methyl-4H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 77151545
[(2R,3S,4R,5R)-5-(6-amino-3-phosphono-4H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxy-oxophosphanium
CID 173231731
(4S,5S)-9-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4,5-dihydro-1H-purin-6-one
CID 124794322
(3R,4S,5R)-2-(4-amino-2H-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 54568488
2-(hydroxymethyl)-5-(6-methylimino-4,5-dihydro-1H-purin-9-yl)oxolane-3,4-diol
CID 166776153
[(2R,3S,5R)-5-(6-amino-1,4,7,8-tetrahydropurin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 66553118
(2R,3R,5S)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094042
(2R,3S,4S,5R)-2-(6-amino-4H-pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 67605890
(2R,3R,5R)-2-(4-amino-2-methylidene-1,3,5-triazin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 174094040
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol (CID 155282484) is (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol is NC1=C2N=CN([C@@H]3O[C@H](COP)C(O)C3O)C2N=CN1.
What is the InChIKey of (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol?
The InChIKey is MSVQUDXNYRULJI-JGUFVVNASA-N. The full InChI is InChI=1S/C10H16N5O4P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(19-10)1-18-20/h2-4,6-7,9-10,16-17H,1,11,20H2,(H,12,13)/t4-,6?,7?,9?,10-/m1/s1.
What are the key properties of (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol?
(2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol has a molecular weight of 301.24 g/mol, XLogP of -2.33, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(6-amino-1,4-dihydropurin-9-yl)-5-(phosphanyloxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 155282484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).