CID 57209721

C10H17N2O5P2+ — CID 57209721

IUPAC—
SMILESO=P(=O)C(CCCCCc1cnccn1)[P+](O)(O)O
InChIInChI=1S/C10H17N2O5P2/c13-18(14)10(19(15,16)17)5-3-1-2-4-9-8-11-6-7-12-9/h6-8,10,15-17H,1-5H2/q+1
InChIKeyLLFJVEYBLLFHCR-UHFFFAOYSA-N
MW307.20 g/mol
LogP1.82
Rot. Bonds8

About CID 57209721

CID 57209721 (PubChem CID 57209721) has the molecular formula C10H17N2O5P2+ and a molecular weight of 307.20 g/mol.

Molecular Properties

Compound NameCID 57209721
PubChem CID57209721
Molecular FormulaC10H17N2O5P2+
Molecular Weight307.20 g/mol
Exact Mass307.06
IUPAC Name—
SMILESO=P(=O)C(CCCCCc1cnccn1)[P+](O)(O)O
InChIInChI=1S/C10H17N2O5P2/c13-18(14)10(19(15,16)17)5-3-1-2-4-9-8-11-6-7-12-9/h6-8,10,15-17H,1-5H2/q+1
InChIKeyLLFJVEYBLLFHCR-UHFFFAOYSA-N
XLogP1.82
TPSA120.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 CID 57209721?
The IUPAC name of CID 57209721 (CID 57209721) is not available.
What is the SMILES notation for CID 57209721?
The canonical SMILES for CID 57209721 is O=P(=O)C(CCCCCc1cnccn1)[P+](O)(O)O.
What is the InChIKey of CID 57209721?
The InChIKey is LLFJVEYBLLFHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O5P2/c13-18(14)10(19(15,16)17)5-3-1-2-4-9-8-11-6-7-12-9/h6-8,10,15-17H,1-5H2/q+1.
What are the key properties of CID 57209721?
CID 57209721 has a molecular weight of 307.20 g/mol, XLogP of 1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57209721 is sourced from PubChem (CID 57209721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).