CID 155906115

C9H14N2O15P3 — CID 155906115

About CID 155906115

CID 155906115 (PubChem CID 155906115) has the molecular formula C9H14N2O15P3 and a molecular weight of 483.13 g/mol.

Molecular Properties

• Compound Name: CID 155906115
• PubChem CID: 155906115
• Molecular Formula: C9H14N2O15P3
• Molecular Weight: 483.13 g/mol
• Exact Mass: 482.96
• IUPAC Name: —
• SMILES: [O]P(=O)(O)OP(=O)(O)OP(=O)(O)OCC1O[C@H](c2c[nH]c(=O)[nH]c2=O)C(O)C1O
• InChI: InChI=1S/C9H14N2O15P3/c12-5-4(2-23-28(19,20)26-29(21,22)25-27(16,17)18)24-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H,16,17)(H,19,20)(H,21,22)(H2,10,11,14,15)/t4?,5?,6?,7-/m1/s1
• InChIKey: GTILJAODGXYTCR-MXFXWPKCSA-N
• XLogP: -1.99
• TPSA: 274.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	483.13
LogP ≤ 5	-1.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of CID 155906115?

The IUPAC name of CID 155906115 (CID 155906115) is not available.

What is the SMILES notation for CID 155906115?

The canonical SMILES for CID 155906115 is [O]P(=O)(O)OP(=O)(O)OP(=O)(O)OCC1O[C@H](c2c[nH]c(=O)[nH]c2=O)C(O)C1O.

What is the InChIKey of CID 155906115?

The InChIKey is GTILJAODGXYTCR-MXFXWPKCSA-N. The full InChI is InChI=1S/C9H14N2O15P3/c12-5-4(2-23-28(19,20)26-29(21,22)25-27(16,17)18)24-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H,16,17)(H,19,20)(H,21,22)(H2,10,11,14,15)/t4?,5?,6?,7-/m1/s1.

What are the key properties of CID 155906115?

CID 155906115 has a molecular weight of 483.13 g/mol, XLogP of -1.99, 8 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for CID 155906115 is sourced from PubChem (CID 155906115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).