hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium

C3H7NO3P+ — CID 87994548

IUPAChydroxy-(oxiran-2-ylmethylamino)-oxophosphanium
SMILESO=[P+](O)NCC1CO1
InChIInChI=1S/C3H6NO3P/c5-8(6)4-1-3-2-7-3/h3H,1-2H2,(H-,4,5,6)/p+1
InChIKeyNLLSJVIQSAPODR-UHFFFAOYSA-O
MW136.07 g/mol
LogP-0.38
Rot. Bonds3

About hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium

hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium (PubChem CID 87994548) has the molecular formula C3H7NO3P+ and a molecular weight of 136.07 g/mol. Its IUPAC name is hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium.

Molecular Properties

Compound Namehydroxy-(oxiran-2-ylmethylamino)-oxophosphanium
PubChem CID87994548
Molecular FormulaC3H7NO3P+
Molecular Weight136.07 g/mol
Exact Mass136.02
IUPAC Namehydroxy-(oxiran-2-ylmethylamino)-oxophosphanium
SMILESO=[P+](O)NCC1CO1
InChIInChI=1S/C3H6NO3P/c5-8(6)4-1-3-2-7-3/h3H,1-2H2,(H-,4,5,6)/p+1
InChIKeyNLLSJVIQSAPODR-UHFFFAOYSA-O
XLogP-0.38
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.07
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium?
The IUPAC name of hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium (CID 87994548) is hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium.
What is the SMILES notation for hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium?
The canonical SMILES for hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium is O=[P+](O)NCC1CO1.
What is the InChIKey of hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium?
The InChIKey is NLLSJVIQSAPODR-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6NO3P/c5-8(6)4-1-3-2-7-3/h3H,1-2H2,(H-,4,5,6)/p+1.
What are the key properties of hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium?
hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium has a molecular weight of 136.07 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-(oxiran-2-ylmethylamino)-oxophosphanium is sourced from PubChem (CID 87994548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).