2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one

C10H15N5O7P- — CID 1025

IUPAC2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one
SMILESNC1=NC2NC=C(C(O)C3OP(=O)([O-])OCC3O)NC2C(=O)N1
InChIInChI=1S/C10H16N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h1,4-8,12-13,16-17H,2H2,(H,19,20)(H3,11,14,15,18)/p-1
InChIKeyABETXLPRGREJND-UHFFFAOYSA-M
MW348.23 g/mol
LogP-4.23
Rot. Bonds2

About 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one

2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one (PubChem CID 1025) has the molecular formula C10H15N5O7P- and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one
PubChem CID1025
Molecular FormulaC10H15N5O7P-
Molecular Weight348.23 g/mol
Exact Mass348.07
IUPAC Name2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one
SMILESNC1=NC2NC=C(C(O)C3OP(=O)([O-])OCC3O)NC2C(=O)N1
InChIInChI=1S/C10H16N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h1,4-8,12-13,16-17H,2H2,(H,19,20)(H3,11,14,15,18)/p-1
InChIKeyABETXLPRGREJND-UHFFFAOYSA-M
XLogP-4.23
TPSA190.59 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500348.23
LogP ≤ 5-4.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one?
The IUPAC name of 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one (CID 1025) is 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one is NC1=NC2NC=C(C(O)C3OP(=O)([O-])OCC3O)NC2C(=O)N1.
What is the InChIKey of 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one?
The InChIKey is ABETXLPRGREJND-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h1,4-8,12-13,16-17H,2H2,(H,19,20)(H3,11,14,15,18)/p-1.
What are the key properties of 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one?
2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one has a molecular weight of 348.23 g/mol, XLogP of -4.23, 2 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[hydroxy-(5-hydroxy-2-oxido-2-oxo-1,3,2lambda5-dioxaphosphinan-4-yl)methyl]-4a,5,8,8a-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 1025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).