CID 123600932

C5H10BNO4P+ — CID 123600932

IUPAC—
SMILES[B]C1CC(N[P+](=O)O)C(CO)O1
InChIInChI=1S/C5H9BNO4P/c6-5-1-3(7-12(9)10)4(2-8)11-5/h3-5,8H,1-2H2,(H-,7,9,10)/p+1
InChIKeyIITSZNMDGQWJOF-UHFFFAOYSA-O
MW189.92 g/mol
LogP-1.13
Rot. Bonds3

About CID 123600932

CID 123600932 (PubChem CID 123600932) has the molecular formula C5H10BNO4P+ and a molecular weight of 189.92 g/mol.

Molecular Properties

Compound NameCID 123600932
PubChem CID123600932
Molecular FormulaC5H10BNO4P+
Molecular Weight189.92 g/mol
Exact Mass190.04
IUPAC Name—
SMILES[B]C1CC(N[P+](=O)O)C(CO)O1
InChIInChI=1S/C5H9BNO4P/c6-5-1-3(7-12(9)10)4(2-8)11-5/h3-5,8H,1-2H2,(H-,7,9,10)/p+1
InChIKeyIITSZNMDGQWJOF-UHFFFAOYSA-O
XLogP-1.13
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.92
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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[(2R,5R)-5-(carbamoylamino)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxy-oxophosphanium
CID 174069338

Frequently Asked Questions

What is the IUPAC name of CID 123600932?
The IUPAC name of CID 123600932 (CID 123600932) is not available.
What is the SMILES notation for CID 123600932?
The canonical SMILES for CID 123600932 is [B]C1CC(N[P+](=O)O)C(CO)O1.
What is the InChIKey of CID 123600932?
The InChIKey is IITSZNMDGQWJOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9BNO4P/c6-5-1-3(7-12(9)10)4(2-8)11-5/h3-5,8H,1-2H2,(H-,7,9,10)/p+1.
What are the key properties of CID 123600932?
CID 123600932 has a molecular weight of 189.92 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123600932 is sourced from PubChem (CID 123600932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).