[(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C135H228N6O30 — CID 160510420

IUPAC[(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)O[C@H]1C[C@@]2(C)C3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45CC35CC[C@]2(C)[C@H]1[C@@]1(C)CC[C@@H](C(C)(C)O)O1.CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC2C3(CC[C@]4(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]24C)C[C@@]32CC[C@H](O)C(C)(C)[C@H]12.CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@]23CC24CC[C@]2(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)C4C[C@H](O)[C@H]3C1(C)C
InChIInChI=1S/3C45H76N2O10/c1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-28-23-29-42(12)24-27(48)32(43(13)18-17-31(55-43)40(9,10)53)41(42,11)20-21-44(29)25-45(44)19-16-30(49)39(7,8)33(28)45;1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-28-24-42(12)29-23-27(48)32-39(7,8)30(49)16-19-45(32)25-44(29,45)21-20-41(42,11)33(28)43(13)18-17-31(55-43)40(9,10)53;1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-30-17-19-45-25-44(45)21-20-41(11)33(43(13)18-16-31(55-43)40(9,10)53)28(49)24-42(41,12)29(44)23-27(48)32(45)39(30,7)8/h3*26-33,48-49,53H,14-25H2,1-13H3,(H,46,51)(H,47,52)/t26-,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+;26?,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+;26-,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+/m000/s1
InChIKeyQSYYYKVZKZCMAS-ZHQAKWPBSA-N
MW2415.32 g/mol
LogP21.56
Rot. Bonds27

About [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

[(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 160510420) has the molecular formula C135H228N6O30 and a molecular weight of 2415.32 g/mol. Its IUPAC name is [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Name[(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID160510420
Molecular FormulaC135H228N6O30
Molecular Weight2415.32 g/mol
Exact Mass2413.65
IUPAC Name[(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)O[C@H]1C[C@@]2(C)C3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45CC35CC[C@]2(C)[C@H]1[C@@]1(C)CC[C@@H](C(C)(C)O)O1.CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC2C3(CC[C@]4(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]24C)C[C@@]32CC[C@H](O)C(C)(C)[C@H]12.CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@]23CC24CC[C@]2(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)C4C[C@H](O)[C@H]3C1(C)C
InChIInChI=1S/3C45H76N2O10/c1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-28-23-29-42(12)24-27(48)32(43(13)18-17-31(55-43)40(9,10)53)41(42,11)20-21-44(29)25-45(44)19-16-30(49)39(7,8)33(28)45;1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-28-24-42(12)29-23-27(48)32-39(7,8)30(49)16-19-45(32)25-44(29,45)21-20-41(42,11)33(28)43(13)18-17-31(55-43)40(9,10)53;1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-30-17-19-45-25-44(45)21-20-41(11)33(43(13)18-16-31(55-43)40(9,10)53)28(49)24-42(41,12)29(44)23-27(48)32(45)39(30,7)8/h3*26-33,48-49,53H,14-25H2,1-13H3,(H,46,51)(H,47,52)/t26-,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+;26?,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+;26-,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+/m000/s1
InChIKeyQSYYYKVZKZCMAS-ZHQAKWPBSA-N
XLogP21.56
TPSA518.64 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms171
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002415.32
LogP ≤ 521.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 160510420) is [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)(C)OC(=O)NCCCC(NC(=O)OC(C)(C)C)C(=O)O[C@H]1C[C@@]2(C)C3C[C@H](O)[C@H]4C(C)(C)[C@@H](O)CC[C@@]45CC35CC[C@]2(C)[C@H]1[C@@]1(C)CC[C@@H](C(C)(C)O)O1.CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC2C3(CC[C@]4(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]24C)C[C@@]32CC[C@H](O)C(C)(C)[C@H]12.CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1CC[C@]23CC24CC[C@]2(C)[C@@H]([C@@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)C4C[C@H](O)[C@H]3C1(C)C.
What is the InChIKey of [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is QSYYYKVZKZCMAS-ZHQAKWPBSA-N. The full InChI is InChI=1S/3C45H76N2O10/c1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-28-23-29-42(12)24-27(48)32(43(13)18-17-31(55-43)40(9,10)53)41(42,11)20-21-44(29)25-45(44)19-16-30(49)39(7,8)33(28)45;1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-28-24-42(12)29-23-27(48)32-39(7,8)30(49)16-19-45(32)25-44(29,45)21-20-41(42,11)33(28)43(13)18-17-31(55-43)40(9,10)53;1-37(2,3)56-35(51)46-22-14-15-26(47-36(52)57-38(4,5)6)34(50)54-30-17-19-45-25-44(45)21-20-41(11)33(43(13)18-16-31(55-43)40(9,10)53)28(49)24-42(41,12)29(44)23-27(48)32(45)39(30,7)8/h3*26-33,48-49,53H,14-25H2,1-13H3,(H,46,51)(H,47,52)/t26-,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+;26?,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+;26-,27-,28-,29?,30-,31-,32-,33-,41+,42-,43+,44?,45+/m000/s1.
What are the key properties of [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
[(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 2415.32 g/mol, XLogP of 21.56, 27 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6S,8R,9S,12S,14S,15R,16R)-6,9-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-14-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] 2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-6,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate;[(3R,6S,8R,9S,12S,14S,15R,16R)-9,14-dihydroxy-15-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 160510420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).