sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide

C89H141ClN19NaO12S4 — CID 159419675

IUPACsodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide
SMILESC.C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CN)CC[C@]12C.C=C1CC[C@H]2[C@H](CN=[N+]=[N-])[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CN=[N+]=[N-])CC[C@]12C.C=C1CC[C@H]2[C@H](CO)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CO)CC[C@]12C.C=C1CC[C@H]2[C@H](COS(C)(=O)=O)[C@@H]([C@@]3(C)Cc4cnn(S(C)(=O)=O)c4C[C@@H]3COS(C)(=O)=O)CC[C@]12C.CS(=O)(=O)Cl.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C24H38N2O8S3.C21H30N8.C21H34N4.C21H32N2O2.CH3ClO2S.CH4.N3.Na/c1-16-7-8-20-19(15-34-37(6,31)32)21(9-10-23(16,20)2)24(3)12-17-13-25-26(35(4,27)28)22(17)11-18(24)14-33-36(5,29)30;1-13-4-5-17-16(12-26-29-23)18(6-7-20(13,17)2)21(3)9-14-10-24-27-19(14)8-15(21)11-25-28-22;1-13-4-5-17-16(11-23)18(6-7-20(13,17)2)21(3)9-14-12-24-25-19(14)8-15(21)10-22;1-13-4-5-17-16(12-25)18(6-7-20(13,17)2)21(3)9-14-10-22-23-19(14)8-15(21)11-24;1-5(2,3)4;;1-3-2;/h13,18-21H,1,7-12,14-15H2,2-6H3;10,15-18H,1,4-9,11-12H2,2-3H3,(H,24,27);12,15-18H,1,4-11,22-23H2,2-3H3,(H,24,25);10,15-18,24-25H,1,4-9,11-12H2,2-3H3,(H,22,23);1H3;1H4;;/q;;;;;;-1;+1/t18-,19+,20+,21+,23-,24+;3*15-,16+,17+,18+,20-,21+;;;;/m1111..../s1
InChIKeyCDVICDFOJJCREW-KVWPAHCYSA-N
MW1855.94 g/mol
LogP12.97
Rot. Bonds19

About sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide

sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide (PubChem CID 159419675) has the molecular formula C89H141ClN19NaO12S4 and a molecular weight of 1855.94 g/mol. Its IUPAC name is sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide.

Molecular Properties

Compound Namesodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide
PubChem CID159419675
Molecular FormulaC89H141ClN19NaO12S4
Molecular Weight1855.94 g/mol
Exact Mass1853.95
IUPAC Namesodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide
SMILESC.C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CN)CC[C@]12C.C=C1CC[C@H]2[C@H](CN=[N+]=[N-])[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CN=[N+]=[N-])CC[C@]12C.C=C1CC[C@H]2[C@H](CO)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CO)CC[C@]12C.C=C1CC[C@H]2[C@H](COS(C)(=O)=O)[C@@H]([C@@]3(C)Cc4cnn(S(C)(=O)=O)c4C[C@@H]3COS(C)(=O)=O)CC[C@]12C.CS(=O)(=O)Cl.[N-]=[N+]=[N-].[Na+]
InChIInChI=1S/C24H38N2O8S3.C21H30N8.C21H34N4.C21H32N2O2.CH3ClO2S.CH4.N3.Na/c1-16-7-8-20-19(15-34-37(6,31)32)21(9-10-23(16,20)2)24(3)12-17-13-25-26(35(4,27)28)22(17)11-18(24)14-33-36(5,29)30;1-13-4-5-17-16(12-26-29-23)18(6-7-20(13,17)2)21(3)9-14-10-24-27-19(14)8-15(21)11-25-28-22;1-13-4-5-17-16(11-23)18(6-7-20(13,17)2)21(3)9-14-12-24-25-19(14)8-15(21)10-22;1-13-4-5-17-16(12-25)18(6-7-20(13,17)2)21(3)9-14-10-22-23-19(14)8-15(21)11-24;1-5(2,3)4;;1-3-2;/h13,18-21H,1,7-12,14-15H2,2-6H3;10,15-18H,1,4-9,11-12H2,2-3H3,(H,24,27);12,15-18H,1,4-11,22-23H2,2-3H3,(H,24,25);10,15-18,24-25H,1,4-9,11-12H2,2-3H3,(H,22,23);1H3;1H4;;/q;;;;;;-1;+1/t18-,19+,20+,21+,23-,24+;3*15-,16+,17+,18+,20-,21+;;;;/m1111..../s1
InChIKeyCDVICDFOJJCREW-KVWPAHCYSA-N
XLogP12.97
TPSA507.60 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms126
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001855.94
LogP ≤ 512.97
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide?
The IUPAC name of sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide (CID 159419675) is sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide.
What is the SMILES notation for sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide?
The canonical SMILES for sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide is C.C=C1CC[C@H]2[C@H](CN)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CN)CC[C@]12C.C=C1CC[C@H]2[C@H](CN=[N+]=[N-])[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CN=[N+]=[N-])CC[C@]12C.C=C1CC[C@H]2[C@H](CO)[C@@H]([C@@]3(C)Cc4cn[nH]c4C[C@@H]3CO)CC[C@]12C.C=C1CC[C@H]2[C@H](COS(C)(=O)=O)[C@@H]([C@@]3(C)Cc4cnn(S(C)(=O)=O)c4C[C@@H]3COS(C)(=O)=O)CC[C@]12C.CS(=O)(=O)Cl.[N-]=[N+]=[N-].[Na+].
What is the InChIKey of sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide?
The InChIKey is CDVICDFOJJCREW-KVWPAHCYSA-N. The full InChI is InChI=1S/C24H38N2O8S3.C21H30N8.C21H34N4.C21H32N2O2.CH3ClO2S.CH4.N3.Na/c1-16-7-8-20-19(15-34-37(6,31)32)21(9-10-23(16,20)2)24(3)12-17-13-25-26(35(4,27)28)22(17)11-18(24)14-33-36(5,29)30;1-13-4-5-17-16(12-26-29-23)18(6-7-20(13,17)2)21(3)9-14-10-24-27-19(14)8-15(21)11-25-28-22;1-13-4-5-17-16(11-23)18(6-7-20(13,17)2)21(3)9-14-12-24-25-19(14)8-15(21)10-22;1-13-4-5-17-16(12-25)18(6-7-20(13,17)2)21(3)9-14-10-22-23-19(14)8-15(21)11-24;1-5(2,3)4;;1-3-2;/h13,18-21H,1,7-12,14-15H2,2-6H3;10,15-18H,1,4-9,11-12H2,2-3H3,(H,24,27);12,15-18H,1,4-11,22-23H2,2-3H3,(H,24,25);10,15-18,24-25H,1,4-9,11-12H2,2-3H3,(H,22,23);1H3;1H4;;/q;;;;;;-1;+1/t18-,19+,20+,21+,23-,24+;3*15-,16+,17+,18+,20-,21+;;;;/m1111..../s1.
What are the key properties of sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide?
sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide has a molecular weight of 1855.94 g/mol, XLogP of 12.97, 19 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;[(5R,6S)-5-[(3aS,4R,5S,7aS)-7a-methyl-1-methylidene-4-(methylsulfonyloxymethyl)-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1-methylsulfonyl-6,7-dihydro-4H-indazol-6-yl]methyl methanesulfonate;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(aminomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanamine;(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(azidomethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-6-(azidomethyl)-5-methyl-1,4,6,7-tetrahydroindazole;[(5R,6S)-5-[(3aS,4R,5S,7aS)-4-(hydroxymethyl)-7a-methyl-1-methylidene-3,3a,4,5,6,7-hexahydro-2H-inden-5-yl]-5-methyl-1,4,6,7-tetrahydroindazol-6-yl]methanol;methane;methanesulfonyl chloride;azide is sourced from PubChem (CID 159419675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).