(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol

C9H13N6O4P — CID 70490569

IUPAC(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol
SMILESNc1nc(N)c2ncn(C(O)C3COP(O)OC3)c2n1
InChIInChI=1S/C9H13N6O4P/c10-6-5-7(14-9(11)13-6)15(3-12-5)8(16)4-1-18-20(17)19-2-4/h3-4,8,16-17H,1-2H2,(H4,10,11,13,14)
InChIKeyCULYJTRCMFQCCC-UHFFFAOYSA-N
MW300.22 g/mol
LogP-0.64
Rot. Bonds2

About (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol

(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol (PubChem CID 70490569) has the molecular formula C9H13N6O4P and a molecular weight of 300.22 g/mol. Its IUPAC name is (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol.

Molecular Properties

Compound Name(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol
PubChem CID70490569
Molecular FormulaC9H13N6O4P
Molecular Weight300.22 g/mol
Exact Mass300.07
IUPAC Name(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol
SMILESNc1nc(N)c2ncn(C(O)C3COP(O)OC3)c2n1
InChIInChI=1S/C9H13N6O4P/c10-6-5-7(14-9(11)13-6)15(3-12-5)8(16)4-1-18-20(17)19-2-4/h3-4,8,16-17H,1-2H2,(H4,10,11,13,14)
InChIKeyCULYJTRCMFQCCC-UHFFFAOYSA-N
XLogP-0.64
TPSA154.56 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol?
The IUPAC name of (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol (CID 70490569) is (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol.
What is the SMILES notation for (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol?
The canonical SMILES for (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol is Nc1nc(N)c2ncn(C(O)C3COP(O)OC3)c2n1.
What is the InChIKey of (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol?
The InChIKey is CULYJTRCMFQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N6O4P/c10-6-5-7(14-9(11)13-6)15(3-12-5)8(16)4-1-18-20(17)19-2-4/h3-4,8,16-17H,1-2H2,(H4,10,11,13,14).
What are the key properties of (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol?
(2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol has a molecular weight of 300.22 g/mol, XLogP of -0.64, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diaminopurin-9-yl)-(2-hydroxy-1,3,2-dioxaphosphinan-5-yl)methanol is sourced from PubChem (CID 70490569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).