[(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)

C18H31ClN2O10Pt — CID 140666650

IUPAC[(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)
SMILESO=C(O)C(Cl)(CCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C12H19ClO10.C6H12N2.Pt/c13-12(10(18)19,11(20)21)2-1-3-22-9-8(17)7(16)6(15)5(4-14)23-9;7-5-3-1-2-4-6(5)8;/h5-9,14-17H,1-4H2,(H,18,19)(H,20,21);5-8H,1-4H2;/q;-2;+2/t5-,6-,7+,8+,9?;5-,6-;/m11./s1
InChIKeyOHXGPWAPYPTHOX-YFYPLSHKSA-N
MW665.98 g/mol
LogP0.13
Rot. Bonds8

About [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)

[(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+) (PubChem CID 140666650) has the molecular formula C18H31ClN2O10Pt and a molecular weight of 665.98 g/mol. Its IUPAC name is [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+).

Molecular Properties

Compound Name[(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)
PubChem CID140666650
Molecular FormulaC18H31ClN2O10Pt
Molecular Weight665.98 g/mol
Exact Mass665.13
IUPAC Name[(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)
SMILESO=C(O)C(Cl)(CCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2]
InChIInChI=1S/C12H19ClO10.C6H12N2.Pt/c13-12(10(18)19,11(20)21)2-1-3-22-9-8(17)7(16)6(15)5(4-14)23-9;7-5-3-1-2-4-6(5)8;/h5-9,14-17H,1-4H2,(H,18,19)(H,20,21);5-8H,1-4H2;/q;-2;+2/t5-,6-,7+,8+,9?;5-,6-;/m11./s1
InChIKeyOHXGPWAPYPTHOX-YFYPLSHKSA-N
XLogP0.13
TPSA221.58 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.98
LogP ≤ 50.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-2-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanedioic acid;methylazanide;platinum(2+)
CID 140666646
4-[(2R,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
CID 118348546
(3R,4S,5S,6R)-2-(4,4-dimethylpentoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 58618503
4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
CID 54212773
2-methyl-2-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]propanedioic acid
CID 123639446
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 70273203
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-(3-hydroxypropoxy)oxane-3,4,5-triol
CID 53469479
2-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 140878022
(2S,3R,4R,5R,6R)-2-butoxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14393381
2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetic acid
CID 100999891
(3S,4S,6S)-2-(hydroxymethyl)-6-(3-sulfanylpropoxy)oxane-3,4,5-triol
CID 118909583
3-[3-[(4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropylsulfanyl]propanoic acid
CID 59445347

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)?
The IUPAC name of [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+) (CID 140666650) is [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+).
What is the SMILES notation for [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)?
The canonical SMILES for [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+) is O=C(O)C(Cl)(CCCOC1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O.[NH-][C@@H]1CCCC[C@H]1[NH-].[Pt+2].
What is the InChIKey of [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)?
The InChIKey is OHXGPWAPYPTHOX-YFYPLSHKSA-N. The full InChI is InChI=1S/C12H19ClO10.C6H12N2.Pt/c13-12(10(18)19,11(20)21)2-1-3-22-9-8(17)7(16)6(15)5(4-14)23-9;7-5-3-1-2-4-6(5)8;/h5-9,14-17H,1-4H2,(H,18,19)(H,20,21);5-8H,1-4H2;/q;-2;+2/t5-,6-,7+,8+,9?;5-,6-;/m11./s1.
What are the key properties of [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+)?
[(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+) has a molecular weight of 665.98 g/mol, XLogP of 0.13, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-azanidylcyclohexyl]azanide;2-chloro-2-[3-[(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl]propanedioic acid;platinum(2+) is sourced from PubChem (CID 140666650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).