CID 101403900

C13H28NO7P2 — CID 101403900

IUPAC—
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@H](P(=O)(OCC)OCC)N1[O]
InChIInChI=1S/C13H28NO7P2/c1-5-18-22(16,19-6-2)12-10-9-11-13(14(12)15)23(17,20-7-3)21-8-4/h12-13H,5-11H2,1-4H3/t12-,13+
InChIKeyPCSVFSFIKMHNFI-BETUJISGSA-N
MW372.32 g/mol
LogP4.00
Rot. Bonds10

About CID 101403900

CID 101403900 (PubChem CID 101403900) has the molecular formula C13H28NO7P2 and a molecular weight of 372.32 g/mol.

Molecular Properties

Compound NameCID 101403900
PubChem CID101403900
Molecular FormulaC13H28NO7P2
Molecular Weight372.32 g/mol
Exact Mass372.13
IUPAC Name—
SMILESCCOP(=O)(OCC)[C@@H]1CCC[C@H](P(=O)(OCC)OCC)N1[O]
InChIInChI=1S/C13H28NO7P2/c1-5-18-22(16,19-6-2)12-10-9-11-13(14(12)15)23(17,20-7-3)21-8-4/h12-13H,5-11H2,1-4H3/t12-,13+
InChIKeyPCSVFSFIKMHNFI-BETUJISGSA-N
XLogP4.00
TPSA94.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101403900?
The IUPAC name of CID 101403900 (CID 101403900) is not available.
What is the SMILES notation for CID 101403900?
The canonical SMILES for CID 101403900 is CCOP(=O)(OCC)[C@@H]1CCC[C@H](P(=O)(OCC)OCC)N1[O].
What is the InChIKey of CID 101403900?
The InChIKey is PCSVFSFIKMHNFI-BETUJISGSA-N. The full InChI is InChI=1S/C13H28NO7P2/c1-5-18-22(16,19-6-2)12-10-9-11-13(14(12)15)23(17,20-7-3)21-8-4/h12-13H,5-11H2,1-4H3/t12-,13+.
What are the key properties of CID 101403900?
CID 101403900 has a molecular weight of 372.32 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101403900 is sourced from PubChem (CID 101403900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).