azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

C28H44Cl2N2O10Pt — CID 11707697

IUPACazane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
SMILESC=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3O.Cl[Pt]Cl.N.N
InChIInChI=1S/C28H38O10.2ClH.2H3N.Pt/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)25(38-16(5)32)26(6,7)22(27)20(37-15(4)31)24(34)28(21,10-17)23(12)33;;;;;/h17-22,24-25,34H,1,9-11H2,2-8H3;2*1H;2*1H3;/q;;;;;+2/p-2/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+;;;;;/m1...../s1
InChIKeyUCEULBVIVIRGLJ-VNQIOIMLSA-L
MW834.65 g/mol
LogP3.99
Rot. Bonds4

About azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate (PubChem CID 11707697) has the molecular formula C28H44Cl2N2O10Pt and a molecular weight of 834.65 g/mol. Its IUPAC name is azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.

Molecular Properties

Compound Nameazane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
PubChem CID11707697
Molecular FormulaC28H44Cl2N2O10Pt
Molecular Weight834.65 g/mol
Exact Mass833.20
IUPAC Nameazane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
SMILESC=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3O.Cl[Pt]Cl.N.N
InChIInChI=1S/C28H38O10.2ClH.2H3N.Pt/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)25(38-16(5)32)26(6,7)22(27)20(37-15(4)31)24(34)28(21,10-17)23(12)33;;;;;/h17-22,24-25,34H,1,9-11H2,2-8H3;2*1H;2*1H3;/q;;;;;+2/p-2/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+;;;;;/m1...../s1
InChIKeyUCEULBVIVIRGLJ-VNQIOIMLSA-L
XLogP3.99
TPSA212.50 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.65
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate with MolForge

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Related Compounds

(3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
CID 73046521
[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-2,3,6-triacetyloxy-7-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 10768649
[(1S,3S,4S,6R,7S,9R,10S,11R,13S)-6-acetyloxy-3,11-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 162909763
[(1S,4S,6R,7S,10S,11S,13R)-6-acetyloxy-3,7-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 22524519
[(1S,3S,4S,6R,7S,9R,10S,11S,13S)-6-acetyloxy-3,7-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 102237436
[(1R,2R,3R,4R,6S,8S,9R,10S,11S,13S)-3-acetyloxy-2,8,11-trihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 15381744
[(1S,3S,4S,6R,7S,9R,10S,11R,12R,13R)-6,11-diacetyloxy-3,12-dihydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 129259838
[(1S,2R,3R,4S,6R,7S,9S,10S,11S,13R,15R)-2,3,6,11-tetraacetyloxy-13,15-dihydroxy-5,5,9-trimethyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 162855129
[(1S,2R,3R,4S,6R,7S,9R,10S,11S,13S,15R)-2,6-diacetyloxy-3,7,15-trihydroxy-5,5,9-trimethyl-14-methylidene-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 10577145
(3-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl) acetate
CID 162986684
[(1R,2R,4R,6S,10S,11S)-2-acetyloxy-8,11-dihydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 59284317
[(1S,8S,9S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate
CID 146159737

Frequently Asked Questions

What is the IUPAC name of azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate?
The IUPAC name of azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate (CID 11707697) is azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate.
What is the SMILES notation for azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate?
The canonical SMILES for azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate is C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@]1(C)C[C@H](OC(C)=O)[C@H](OC(C)=O)C(C)(C)[C@H]1[C@@H](OC(C)=O)[C@@H]3O.Cl[Pt]Cl.N.N.
What is the InChIKey of azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate?
The InChIKey is UCEULBVIVIRGLJ-VNQIOIMLSA-L. The full InChI is InChI=1S/C28H38O10.2ClH.2H3N.Pt/c1-12-17-9-18(35-13(2)29)21-27(8)11-19(36-14(3)30)25(38-16(5)32)26(6,7)22(27)20(37-15(4)31)24(34)28(21,10-17)23(12)33;;;;;/h17-22,24-25,34H,1,9-11H2,2-8H3;2*1H;2*1H3;/q;;;;;+2/p-2/t17-,18+,19+,20-,21+,22-,24+,25+,27+,28+;;;;;/m1...../s1.
What are the key properties of azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate?
azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate has a molecular weight of 834.65 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dichloroplatinum;[(1R,2R,3R,4S,6R,7S,9S,10S,11S,13S)-3,6,7-triacetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-15-oxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate is sourced from PubChem (CID 11707697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).