5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol

C9H23NO7P2 — CID 54516479

IUPAC5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol
SMILESCOP(=O)(OC)C(O)(CCCCN)P(=O)(OC)OC
InChIInChI=1S/C9H23NO7P2/c1-14-18(12,15-2)9(11,7-5-6-8-10)19(13,16-3)17-4/h11H,5-8,10H2,1-4H3
InChIKeyYMTVHRBDVDOTRS-UHFFFAOYSA-N
MW319.23 g/mol
LogP1.73
Rot. Bonds10

About 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol

5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol (PubChem CID 54516479) has the molecular formula C9H23NO7P2 and a molecular weight of 319.23 g/mol. Its IUPAC name is 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol.

Molecular Properties

Compound Name5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol
PubChem CID54516479
Molecular FormulaC9H23NO7P2
Molecular Weight319.23 g/mol
Exact Mass319.09
IUPAC Name5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol
SMILESCOP(=O)(OC)C(O)(CCCCN)P(=O)(OC)OC
InChIInChI=1S/C9H23NO7P2/c1-14-18(12,15-2)9(11,7-5-6-8-10)19(13,16-3)17-4/h11H,5-8,10H2,1-4H3
InChIKeyYMTVHRBDVDOTRS-UHFFFAOYSA-N
XLogP1.73
TPSA117.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol?
The IUPAC name of 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol (CID 54516479) is 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol.
What is the SMILES notation for 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol?
The canonical SMILES for 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol is COP(=O)(OC)C(O)(CCCCN)P(=O)(OC)OC.
What is the InChIKey of 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol?
The InChIKey is YMTVHRBDVDOTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23NO7P2/c1-14-18(12,15-2)9(11,7-5-6-8-10)19(13,16-3)17-4/h11H,5-8,10H2,1-4H3.
What are the key properties of 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol?
5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol has a molecular weight of 319.23 g/mol, XLogP of 1.73, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,1-bis(dimethoxyphosphoryl)pentan-1-ol is sourced from PubChem (CID 54516479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).