[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate

C10H15N6O6P — CID 67233006

IUPAC[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate
SMILESNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChIInChI=1S/C10H15N6O6P/c11-1-4-7(22-23(18,19)20)6(17)10(21-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,6?,7?,10-/m1/s1
InChIKeyAHSAWKISLMYBSW-DGPXGRDGSA-N
MW346.24 g/mol
LogP-1.90
Rot. Bonds4

About [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate

[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate (PubChem CID 67233006) has the molecular formula C10H15N6O6P and a molecular weight of 346.24 g/mol. Its IUPAC name is [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate
PubChem CID67233006
Molecular FormulaC10H15N6O6P
Molecular Weight346.24 g/mol
Exact Mass346.08
IUPAC Name[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate
SMILESNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O
InChIInChI=1S/C10H15N6O6P/c11-1-4-7(22-23(18,19)20)6(17)10(21-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,6?,7?,10-/m1/s1
InChIKeyAHSAWKISLMYBSW-DGPXGRDGSA-N
XLogP-1.90
TPSA191.86 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 5-1.90
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,4S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 133126807
[(2R,3S,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 71313042
[(3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 53481006
[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methyloxolan-3-yl] dihydrogen phosphate
CID 66985221
[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 14054623
[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl sulfo hydrogen phosphate
CID 70794656
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl] dihydrogen phosphate;hydrate
CID 91654157
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl hydrogen phosphate
CID 90663503
sodium [5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
CID 53432418
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 10009653
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy(513C)oxolan-2-yl]methyl dihydrogen phosphate
CID 163409208
[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(methoxymethyl)oxolan-3-yl]oxy-methylphosphinic acid
CID 155792881

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate?
The IUPAC name of [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate (CID 67233006) is [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate is NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1OP(=O)(O)O.
What is the InChIKey of [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate?
The InChIKey is AHSAWKISLMYBSW-DGPXGRDGSA-N. The full InChI is InChI=1S/C10H15N6O6P/c11-1-4-7(22-23(18,19)20)6(17)10(21-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17H,1,11H2,(H2,12,13,14)(H2,18,19,20)/t4-,6?,7?,10-/m1/s1.
What are the key properties of [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate?
[(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate has a molecular weight of 346.24 g/mol, XLogP of -1.90, 4 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl] dihydrogen phosphate is sourced from PubChem (CID 67233006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).