acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate

C62H147N6O15P63 — CID 165059226

IUPACacetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate
SMILESCC(=O)O.CO[C@H]1C[C@@]23CC[C@@H](C)[C@@](C)([C@H](O)C[C@@H](C4=CCn5c(=O)n(-c6ccccc6)c(=O)n5C4)[C@@H]2C)[C@]3(O)C1=O.CO[C@H]1C[C@@]23CC[C@@H](C)[C@@](C)([C@H](OC(C)=O)C[C@@H](C4=CCn5c(=O)n(-c6ccccc6)c(=O)n5C4)[C@@H]2C)[C@]3(O)C1=O.PP(P)P(P(P)P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C31H39N3O7.C29H37N3O6.C2H4O2.H44P42.H23P21/c1-18-11-13-30-16-24(40-5)26(36)31(30,39)29(18,4)25(41-20(3)35)15-23(19(30)2)21-12-14-32-27(37)34(28(38)33(32)17-21)22-9-7-6-8-10-22;1-17-10-12-28-15-22(38-4)24(34)29(28,37)27(17,3)23(33)14-21(18(28)2)19-11-13-30-25(35)32(26(36)31(30)16-19)20-8-6-5-7-9-20;1-2(3)4;1-23(2)34(24(3)4)39(33(21)22)42(40(35(25(5)6)26(7)8)36(27(9)10)28(11)12)41(37(29(13)14)30(15)16)38(31(17)18)32(19)20;1-12-18(13(2)3)21(19(14(4)5)15(6)7)20(16(8)9)17(10)11/h6-10,12,18-19,23-25,39H,11,13-17H2,1-5H3;5-9,11,17-18,21-23,33,37H,10,12-16H2,1-4H3;1H3,(H,3,4);1-22H2;12H,1-11H2/t18-,19+,23-,24+,25-,29+,30+,31-;17-,18+,21-,22+,23-,27+,28+,29-;;;/m11.../s1
InChIKeyKWWZWHINDCENEL-NDMBLIJQSA-N
MW3168.25 g/mol
LogP40.78
Rot. Bonds35

About acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate

acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate (PubChem CID 165059226) has the molecular formula C62H147N6O15P63 and a molecular weight of 3168.25 g/mol. Its IUPAC name is acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate.

Molecular Properties

Compound Nameacetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate
PubChem CID165059226
Molecular FormulaC62H147N6O15P63
Molecular Weight3168.25 g/mol
Exact Mass3167.44
IUPAC Nameacetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate
SMILESCC(=O)O.CO[C@H]1C[C@@]23CC[C@@H](C)[C@@](C)([C@H](O)C[C@@H](C4=CCn5c(=O)n(-c6ccccc6)c(=O)n5C4)[C@@H]2C)[C@]3(O)C1=O.CO[C@H]1C[C@@]23CC[C@@H](C)[C@@](C)([C@H](OC(C)=O)C[C@@H](C4=CCn5c(=O)n(-c6ccccc6)c(=O)n5C4)[C@@H]2C)[C@]3(O)C1=O.PP(P)P(P(P)P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C31H39N3O7.C29H37N3O6.C2H4O2.H44P42.H23P21/c1-18-11-13-30-16-24(40-5)26(36)31(30,39)29(18,4)25(41-20(3)35)15-23(19(30)2)21-12-14-32-27(37)34(28(38)33(32)17-21)22-9-7-6-8-10-22;1-17-10-12-28-15-22(38-4)24(34)29(28,37)27(17,3)23(33)14-21(18(28)2)19-11-13-30-25(35)32(26(36)31(30)16-19)20-8-6-5-7-9-20;1-2(3)4;1-23(2)34(24(3)4)39(33(21)22)42(40(35(25(5)6)26(7)8)36(27(9)10)28(11)12)41(37(29(13)14)30(15)16)38(31(17)18)32(19)20;1-12-18(13(2)3)21(19(14(4)5)15(6)7)20(16(8)9)17(10)11/h6-10,12,18-19,23-25,39H,11,13-17H2,1-5H3;5-9,11,17-18,21-23,33,37H,10,12-16H2,1-4H3;1H3,(H,3,4);1-22H2;12H,1-11H2/t18-,19+,23-,24+,25-,29+,30+,31-;17-,18+,21-,22+,23-,27+,28+,29-;;;/m11.../s1
InChIKeyKWWZWHINDCENEL-NDMBLIJQSA-N
XLogP40.78
TPSA274.75 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds35
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003168.25
LogP ≤ 540.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate?
The IUPAC name of acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate (CID 165059226) is acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate.
What is the SMILES notation for acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate?
The canonical SMILES for acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate is CC(=O)O.CO[C@H]1C[C@@]23CC[C@@H](C)[C@@](C)([C@H](O)C[C@@H](C4=CCn5c(=O)n(-c6ccccc6)c(=O)n5C4)[C@@H]2C)[C@]3(O)C1=O.CO[C@H]1C[C@@]23CC[C@@H](C)[C@@](C)([C@H](OC(C)=O)C[C@@H](C4=CCn5c(=O)n(-c6ccccc6)c(=O)n5C4)[C@@H]2C)[C@]3(O)C1=O.PP(P)P(P(P)P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate?
The InChIKey is KWWZWHINDCENEL-NDMBLIJQSA-N. The full InChI is InChI=1S/C31H39N3O7.C29H37N3O6.C2H4O2.H44P42.H23P21/c1-18-11-13-30-16-24(40-5)26(36)31(30,39)29(18,4)25(41-20(3)35)15-23(19(30)2)21-12-14-32-27(37)34(28(38)33(32)17-21)22-9-7-6-8-10-22;1-17-10-12-28-15-22(38-4)24(34)29(28,37)27(17,3)23(33)14-21(18(28)2)19-11-13-30-25(35)32(26(36)31(30)16-19)20-8-6-5-7-9-20;1-2(3)4;1-23(2)34(24(3)4)39(33(21)22)42(40(35(25(5)6)26(7)8)36(27(9)10)28(11)12)41(37(29(13)14)30(15)16)38(31(17)18)32(19)20;1-12-18(13(2)3)21(19(14(4)5)15(6)7)20(16(8)9)17(10)11/h6-10,12,18-19,23-25,39H,11,13-17H2,1-5H3;5-9,11,17-18,21-23,33,37H,10,12-16H2,1-4H3;1H3,(H,3,4);1-22H2;12H,1-11H2/t18-,19+,23-,24+,25-,29+,30+,31-;17-,18+,21-,22+,23-,27+,28+,29-;;;/m11.../s1.
What are the key properties of acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate?
acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate has a molecular weight of 3168.25 g/mol, XLogP of 40.78, 35 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;6-[(1S,3S,5S,6S,7R,9R,10S,13R)-5,7-dihydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-9-tricyclo[4.4.3.01,5]tridecanyl]-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione;[(1S,3S,5S,6S,7R,9R,10S,13R)-9-(1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-6-yl)-5-hydroxy-3-methoxy-6,10,13-trimethyl-4-oxo-7-tricyclo[4.4.3.01,5]tridecanyl] acetate is sourced from PubChem (CID 165059226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).