5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one

C117H150N20O15Si2 — CID 157294830

IUPAC5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one
SMILESC=CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)C1NNCC1CCC4.CC1(C)C(=O)N(C[C@H](O)CO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4
InChIInChI=1S/C27H38N4O4Si.C27H36N4O2Si.C21H28N4O3.2C21H24N4O3/c1-27(2)21-12-22-20(11-23(21)31(26(27)34)14-18(33)15-32)19-8-6-7-17-13-30(29-24(17)25(19)28-22)16-35-9-10-36(3,4)5;1-7-11-31-23-14-20-19-10-8-9-18-16-30(17-33-12-13-34(4,5)6)29-24(18)25(19)28-22(20)15-21(23)27(2,3)26(31)32;3*1-21(2)15-7-16-14(6-17(15)25(20(21)28)9-12(27)10-26)13-5-3-4-11-8-22-24-18(11)19(13)23-16/h11-13,18,28,32-33H,6-10,14-16H2,1-5H3;7,14-16,28H,1,8-13,17H2,2-6H3;6-7,11-12,18,22-24,26-27H,3-5,8-10H2,1-2H3;2*6-8,12,23,26-27H,3-5,9-10H2,1-2H3,(H,22,24)/t;;;12-;/m...0./s1
InChIKeyBBFOYNHGIPQCHJ-QINXOZADSA-N
MW2132.78 g/mol
LogP14.75
Rot. Bonds24

About 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one

5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one (PubChem CID 157294830) has the molecular formula C117H150N20O15Si2 and a molecular weight of 2132.78 g/mol. Its IUPAC name is 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one.

Molecular Properties

Compound Name5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one
PubChem CID157294830
Molecular FormulaC117H150N20O15Si2
Molecular Weight2132.78 g/mol
Exact Mass2131.11
IUPAC Name5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one
SMILESC=CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)C1NNCC1CCC4.CC1(C)C(=O)N(C[C@H](O)CO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4
InChIInChI=1S/C27H38N4O4Si.C27H36N4O2Si.C21H28N4O3.2C21H24N4O3/c1-27(2)21-12-22-20(11-23(21)31(26(27)34)14-18(33)15-32)19-8-6-7-17-13-30(29-24(17)25(19)28-22)16-35-9-10-36(3,4)5;1-7-11-31-23-14-20-19-10-8-9-18-16-30(17-33-12-13-34(4,5)6)29-24(18)25(19)28-22(20)15-21(23)27(2,3)26(31)32;3*1-21(2)15-7-16-14(6-17(15)25(20(21)28)9-12(27)10-26)13-5-3-4-11-8-22-24-18(11)19(13)23-16/h11-13,18,28,32-33H,6-10,14-16H2,1-5H3;7,14-16,28H,1,8-13,17H2,2-6H3;6-7,11-12,18,22-24,26-27H,3-5,8-10H2,1-2H3;2*6-8,12,23,26-27H,3-5,9-10H2,1-2H3,(H,22,24)/t;;;12-;/m...0./s1
InChIKeyBBFOYNHGIPQCHJ-QINXOZADSA-N
XLogP14.75
TPSA477.86 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002132.78
LogP ≤ 514.75
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one?
The IUPAC name of 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one (CID 157294830) is 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one.
What is the SMILES notation for 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one?
The canonical SMILES for 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one is C=CCN1C(=O)C(C)(C)c2cc3[nH]c4c(c3cc21)CCCc1cn(COCC[Si](C)(C)C)nc1-4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)-c1nn(COCC[Si](C)(C)C)cc1CCC4.CC1(C)C(=O)N(CC(O)CO)c2cc3c4c([nH]c3cc21)C1NNCC1CCC4.CC1(C)C(=O)N(C[C@H](O)CO)c2cc3c4c([nH]c3cc21)-c1[nH]ncc1CCC4.
What is the InChIKey of 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one?
The InChIKey is BBFOYNHGIPQCHJ-QINXOZADSA-N. The full InChI is InChI=1S/C27H38N4O4Si.C27H36N4O2Si.C21H28N4O3.2C21H24N4O3/c1-27(2)21-12-22-20(11-23(21)31(26(27)34)14-18(33)15-32)19-8-6-7-17-13-30(29-24(17)25(19)28-22)16-35-9-10-36(3,4)5;1-7-11-31-23-14-20-19-10-8-9-18-16-30(17-33-12-13-34(4,5)6)29-24(18)25(19)28-22(20)15-21(23)27(2,3)26(31)32;3*1-21(2)15-7-16-14(6-17(15)25(20(21)28)9-12(27)10-26)13-5-3-4-11-8-22-24-18(11)19(13)23-16/h11-13,18,28,32-33H,6-10,14-16H2,1-5H3;7,14-16,28H,1,8-13,17H2,2-6H3;6-7,11-12,18,22-24,26-27H,3-5,8-10H2,1-2H3;2*6-8,12,23,26-27H,3-5,9-10H2,1-2H3,(H,22,24)/t;;;12-;/m...0./s1.
What are the key properties of 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one?
5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one has a molecular weight of 2132.78 g/mol, XLogP of 14.75, 24 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2,3-dihydroxypropyl]-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13(17),15-hexaen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9-tetraen-6-one;5-(2,3-dihydroxypropyl)-7,7-dimethyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one;7,7-dimethyl-5-prop-2-enyl-15-(2-trimethylsilylethoxymethyl)-5,11,14,15-tetrazapentacyclo[10.8.0.02,10.04,8.013,17]icosa-1(12),2,4(8),9,13,16-hexaen-6-one is sourced from PubChem (CID 157294830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).