tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate

C6H8Cu3O14P2 — CID 173001729

IUPACtricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/C6H8O6.3Cu.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1
InChIKeyKIWRGXOCIIAWEP-XCTPRCOBSA-H
MW556.70 g/mol
LogP-7.06
Rot. Bonds2

About tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate

tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate (PubChem CID 173001729) has the molecular formula C6H8Cu3O14P2 and a molecular weight of 556.70 g/mol. Its IUPAC name is tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate.

Molecular Properties

Compound Nametricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
PubChem CID173001729
Molecular FormulaC6H8Cu3O14P2
Molecular Weight556.70 g/mol
Exact Mass554.73
IUPAC Nametricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate
SMILESO=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2]
InChIInChI=1S/C6H8O6.3Cu.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1
InChIKeyKIWRGXOCIIAWEP-XCTPRCOBSA-H
XLogP-7.06
TPSA279.72 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.70
LogP ≤ 5-7.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
The IUPAC name of tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate (CID 173001729) is tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate.
What is the SMILES notation for tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
The canonical SMILES for tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate is O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Cu+2].[Cu+2].[Cu+2].
What is the InChIKey of tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
The InChIKey is KIWRGXOCIIAWEP-XCTPRCOBSA-H. The full InChI is InChI=1S/C6H8O6.3Cu.2H3O4P/c7-1-2(8)5-3(9)4(10)6(11)12-5;;;;2*1-5(2,3)4/h2,5,7-10H,1H2;;;;2*(H3,1,2,3,4)/q;3*+2;;/p-6/t2-,5+;;;;;/m0...../s1.
What are the key properties of tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate?
tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate has a molecular weight of 556.70 g/mol, XLogP of -7.06, 2 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tricopper;(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;diphosphate is sourced from PubChem (CID 173001729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).