cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate

C18H32N2O13Pt — CID 90478282

IUPACcyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate
SMILESNC1CCCCC1N.O.O=C1OC(C(O)CO)C(O)=C1O.O=C1OC(C(O)CO)C(O)=C1O.[Pt]
InChIInChI=1S/C6H14N2.2C6H8O6.H2O.Pt/c7-5-3-1-2-4-6(5)8;2*7-1-2(8)5-3(9)4(10)6(11)12-5;;/h5-6H,1-4,7-8H2;2*2,5,7-10H,1H2;1H2;
InChIKeyATTONOBLMWFFSN-UHFFFAOYSA-N
MW679.53 g/mol
LogP-3.43
Rot. Bonds4

About cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate

cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate (PubChem CID 90478282) has the molecular formula C18H32N2O13Pt and a molecular weight of 679.53 g/mol. Its IUPAC name is cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate.

Molecular Properties

Compound Namecyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate
PubChem CID90478282
Molecular FormulaC18H32N2O13Pt
Molecular Weight679.53 g/mol
Exact Mass679.16
IUPAC Namecyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate
SMILESNC1CCCCC1N.O.O=C1OC(C(O)CO)C(O)=C1O.O=C1OC(C(O)CO)C(O)=C1O.[Pt]
InChIInChI=1S/C6H14N2.2C6H8O6.H2O.Pt/c7-5-3-1-2-4-6(5)8;2*7-1-2(8)5-3(9)4(10)6(11)12-5;;/h5-6H,1-4,7-8H2;2*2,5,7-10H,1H2;1H2;
InChIKeyATTONOBLMWFFSN-UHFFFAOYSA-N
XLogP-3.43
TPSA297.98 Ų
H-Bond Donors10
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500679.53
LogP ≤ 5-3.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate?
The IUPAC name of cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate (CID 90478282) is cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate.
What is the SMILES notation for cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate?
The canonical SMILES for cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate is NC1CCCCC1N.O.O=C1OC(C(O)CO)C(O)=C1O.O=C1OC(C(O)CO)C(O)=C1O.[Pt].
What is the InChIKey of cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate?
The InChIKey is ATTONOBLMWFFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.2C6H8O6.H2O.Pt/c7-5-3-1-2-4-6(5)8;2*7-1-2(8)5-3(9)4(10)6(11)12-5;;/h5-6H,1-4,7-8H2;2*2,5,7-10H,1H2;1H2;.
What are the key properties of cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate?
cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate has a molecular weight of 679.53 g/mol, XLogP of -3.43, 4 rotatable bonds, 10 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane-1,2-diamine;bis(2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one);platinum;hydrate is sourced from PubChem (CID 90478282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).