cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate

C20H30CoN8O20P2- — CID 135534751

About cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate

cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate (PubChem CID 135534751) has the molecular formula C20H30CoN8O20P2- and a molecular weight of 823.38 g/mol. Its IUPAC name is cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate.

Molecular Properties

• Compound Name: cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate
• PubChem CID: 135534751
• Molecular Formula: C20H30CoN8O20P2-
• Molecular Weight: 823.38 g/mol
• Exact Mass: 823.04
• IUPAC Name: cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate
• SMILES: O.O.O.O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O.[Co+3]
• InChI: InChI=1S/2C10H13N4O8P.Co.4H2O/c2*15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;/h2*2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;4*1H2/q;;+3;;;;/p-4
• InChIKey: PBJXTBXLJHKATO-UHFFFAOYSA-J
• XLogP: -10.13
• TPSA: 497.36 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	823.38
LogP ≤ 5	-10.13
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate?

The IUPAC name of cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate (CID 135534751) is cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate.

What is the SMILES notation for cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate?

The canonical SMILES for cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate is O.O.O.O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O.O=c1[nH]cnc2c1ncn2C1OC(COP(=O)([O-])[O-])C(O)C1O.[Co+3].

What is the InChIKey of cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate?

The InChIKey is PBJXTBXLJHKATO-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H13N4O8P.Co.4H2O/c2*15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;;;;;/h2*2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);;4*1H2/q;;+3;;;;/p-4.

What are the key properties of cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate?

cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate has a molecular weight of 823.38 g/mol, XLogP of -10.13, 8 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(3+);bis([3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate);tetrahydrate is sourced from PubChem (CID 135534751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).