2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane

C10H16NO5P — CID 174603848

IUPAC2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane
SMILESO=[N+]([O-])C(CO)(CO)CO.Pc1ccccc1
InChIInChI=1S/C6H7P.C4H9NO5/c7-6-4-2-1-3-5-6;6-1-4(2-7,3-8)5(9)10/h1-5H,7H2;6-8H,1-3H2
InChIKeyQSVPEYIODAWHSL-UHFFFAOYSA-N
MW261.21 g/mol
LogP-0.83
Rot. Bonds4

About 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane

2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane (PubChem CID 174603848) has the molecular formula C10H16NO5P and a molecular weight of 261.21 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane
PubChem CID174603848
Molecular FormulaC10H16NO5P
Molecular Weight261.21 g/mol
Exact Mass261.08
IUPAC Name2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane
SMILESO=[N+]([O-])C(CO)(CO)CO.Pc1ccccc1
InChIInChI=1S/C6H7P.C4H9NO5/c7-6-4-2-1-3-5-6;6-1-4(2-7,3-8)5(9)10/h1-5H,7H2;6-8H,1-3H2
InChIKeyQSVPEYIODAWHSL-UHFFFAOYSA-N
XLogP-0.83
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 161424002
2-nitro-2-(2-phenylethyl)propane-1,3-diol
CID 66837691
2-bromo-1-phenylethanone;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 174434455
CID 174619786
CID 174619786
carbonic acid;phenylphosphane
CID 173309106
ethanamine;2-(hydroxymethyl)-2-nitropropane-1,3-diol
CID 174743250
palladium(2+);phenylphosphane
CID 18006167
phenylphosphane;hydrochloride
CID 172838104
CID 22924326
CID 22924326
2-(hydroxymethyl)-2-nitropropane-1,3-diol;pentanedial
CID 87467041
2-(hydroxymethyl)-2-nitropropane-1,3-diol;prop-2-enylsilane
CID 174453521
disodium;hydride;phenylphosphane
CID 173187531

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane?
The IUPAC name of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane (CID 174603848) is 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane.
What is the SMILES notation for 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane?
The canonical SMILES for 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane is O=[N+]([O-])C(CO)(CO)CO.Pc1ccccc1.
What is the InChIKey of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane?
The InChIKey is QSVPEYIODAWHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.C4H9NO5/c7-6-4-2-1-3-5-6;6-1-4(2-7,3-8)5(9)10/h1-5H,7H2;6-8H,1-3H2.
What are the key properties of 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane?
2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane has a molecular weight of 261.21 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-nitropropane-1,3-diol;phenylphosphane is sourced from PubChem (CID 174603848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).