2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

C15H27Mn3O20P — CID 173213229

About 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)

2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (PubChem CID 173213229) has the molecular formula C15H27Mn3O20P and a molecular weight of 723.15 g/mol. Its IUPAC name is 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).

Molecular Properties

• Compound Name: 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
• PubChem CID: 173213229
• Molecular Formula: C15H27Mn3O20P
• Molecular Weight: 723.15 g/mol
• Exact Mass: 722.90
• IUPAC Name: 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
• SMILES: O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P([O-])([O-])OCC([O-])C[O-].[Mn+2].[Mn+2].[Mn+2]
• InChI: InChI=1S/2C6H12O7.C3H7O6P.3Mn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;4-1-3(5)2-9-10(6,7)8;;;/h2*2-5,7-11H,1H2,(H,12,13);3H,1-2H2,(H2,6,7,8);;;/q;;-2;3*+2/p-4/t2*2-,3-,4+,5-;;;;/m11..../s1
• InChIKey: MCFGQMJWKGCCLN-BMDZSJGYSA-J
• XLogP: -13.74
• TPSA: 401.10 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	723.15
LogP ≤ 5	-13.74
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?

The IUPAC name of 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) (CID 173213229) is 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).

What is the SMILES notation for 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?

The canonical SMILES for 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) is O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P([O-])([O-])OCC([O-])C[O-].[Mn+2].[Mn+2].[Mn+2].

What is the InChIKey of 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?

The InChIKey is MCFGQMJWKGCCLN-BMDZSJGYSA-J. The full InChI is InChI=1S/2C6H12O7.C3H7O6P.3Mn/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;4-1-3(5)2-9-10(6,7)8;;;/h2*2-5,7-11H,1H2,(H,12,13);3H,1-2H2,(H2,6,7,8);;;/q;;-2;3*+2/p-4/t2*2-,3-,4+,5-;;;;/m11..../s1.

What are the key properties of 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)?

2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) has a molecular weight of 723.15 g/mol, XLogP of -13.74, 14 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dioxidopropyl phosphate;tris(manganese(2+));bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) is sourced from PubChem (CID 173213229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).