O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine

H7NO18P6 — CID 173394555

About O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine

O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine (PubChem CID 173394555) has the molecular formula H7NO18P6 and a molecular weight of 494.89 g/mol. Its IUPAC name is O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine.

Molecular Properties

• Compound Name: O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine
• PubChem CID: 173394555
• Molecular Formula: H7NO18P6
• Molecular Weight: 494.89 g/mol
• Exact Mass: 494.81
• IUPAC Name: O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine
• SMILES: NOP1(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1
• InChI: InChI=1S/H7NO18P6/c1-13-25(12)18-23(8,9)16-21(4,5)14-20(2,3)15-22(6,7)17-24(10,11)19-25/h1H2,(H,2,3)(H,4,5)(H,6,7)(H,8,9)(H,10,11)
• InChIKey: DULVTQHTEZSQQX-UHFFFAOYSA-N
• XLogP: 0.60
• TPSA: 294.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	494.89
LogP ≤ 5	0.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine?

The IUPAC name of O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine (CID 173394555) is O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine.

What is the SMILES notation for O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine?

The canonical SMILES for O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine is NOP1(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O1.

What is the InChIKey of O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine?

The InChIKey is DULVTQHTEZSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/H7NO18P6/c1-13-25(12)18-23(8,9)16-21(4,5)14-20(2,3)15-22(6,7)17-24(10,11)19-25/h1H2,(H,2,3)(H,4,5)(H,6,7)(H,8,9)(H,10,11).

What are the key properties of O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine?

O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine has a molecular weight of 494.89 g/mol, XLogP of 0.60, 1 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for O-(4,6,8,10,12-pentahydroxy-2,4,6,8,10,12-hexaoxo-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododec-2-yl)hydroxylamine is sourced from PubChem (CID 173394555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).