2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol

C15H24N3O5P — CID 58287032

IUPAC2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol
SMILESCOc1ncnc2c(CCC(CO)(CO)CO)cn(COCP)c12
InChIInChI=1S/C15H24N3O5P/c1-22-14-13-12(16-8-17-14)11(4-18(13)9-23-10-24)2-3-15(5-19,6-20)7-21/h4,8,19-21H,2-3,5-7,9-10,24H2,1H3
InChIKeyLPKMZINJYVDLMN-UHFFFAOYSA-N
MW357.35 g/mol
LogP0.14
Rot. Bonds10

About 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol

2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol (PubChem CID 58287032) has the molecular formula C15H24N3O5P and a molecular weight of 357.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol
PubChem CID58287032
Molecular FormulaC15H24N3O5P
Molecular Weight357.35 g/mol
Exact Mass357.15
IUPAC Name2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol
SMILESCOc1ncnc2c(CCC(CO)(CO)CO)cn(COCP)c12
InChIInChI=1S/C15H24N3O5P/c1-22-14-13-12(16-8-17-14)11(4-18(13)9-23-10-24)2-3-15(5-19,6-20)7-21/h4,8,19-21H,2-3,5-7,9-10,24H2,1H3
InChIKeyLPKMZINJYVDLMN-UHFFFAOYSA-N
XLogP0.14
TPSA109.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol (CID 58287032) is 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol is COc1ncnc2c(CCC(CO)(CO)CO)cn(COCP)c12.
What is the InChIKey of 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol?
The InChIKey is LPKMZINJYVDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N3O5P/c1-22-14-13-12(16-8-17-14)11(4-18(13)9-23-10-24)2-3-15(5-19,6-20)7-21/h4,8,19-21H,2-3,5-7,9-10,24H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol?
2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol has a molecular weight of 357.35 g/mol, XLogP of 0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[2-[4-methoxy-5-(phosphanylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]ethyl]propane-1,3-diol is sourced from PubChem (CID 58287032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).