(2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one

C21H66O7P32 — CID 59094323

IUPAC(2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESCC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@H](C)[C@@](O)(CO)[C@H]3[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C21H66O7P32/c1-9-6-13(27-48(51(31)32)52(33)34)20(5)17(21(9,24)8-22)15(25-46-29)11-7-12(26-50(58(45)54(37)38)60(56(41)42)57(43)44)10(2)14(19(11,3)4)16(18(20)23)28-49(53(35)36)59(47-30)55(39)40/h9,11-13,15-17,22,24,46-47H,6-8,29-45H2,1-5H3/t9-,11?,12-,13-,15+,16+,17-,20+,21-,49?,50?,58?,59?/m0/s1
InChIKeyXTQCSBFOJBLDSX-IAGVDMHOSA-N
MW1421.92 g/mol
LogP19.64
Rot. Bonds20

About (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one

(2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one (PubChem CID 59094323) has the molecular formula C21H66O7P32 and a molecular weight of 1421.92 g/mol. Its IUPAC name is (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one.

Molecular Properties

Compound Name(2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one
PubChem CID59094323
Molecular FormulaC21H66O7P32
Molecular Weight1421.92 g/mol
Exact Mass1421.64
IUPAC Name(2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESCC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@H](C)[C@@](O)(CO)[C@H]3[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C21H66O7P32/c1-9-6-13(27-48(51(31)32)52(33)34)20(5)17(21(9,24)8-22)15(25-46-29)11-7-12(26-50(58(45)54(37)38)60(56(41)42)57(43)44)10(2)14(19(11,3)4)16(18(20)23)28-49(53(35)36)59(47-30)55(39)40/h9,11-13,15-17,22,24,46-47H,6-8,29-45H2,1-5H3/t9-,11?,12-,13-,15+,16+,17-,20+,21-,49?,50?,58?,59?/m0/s1
InChIKeyXTQCSBFOJBLDSX-IAGVDMHOSA-N
XLogP19.64
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001421.92
LogP ≤ 519.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The IUPAC name of (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one (CID 59094323) is (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one.
What is the SMILES notation for (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The canonical SMILES for (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one is CC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)C(=O)[C@]3(C)[C@@H](OP(P(P)P)P(P)P)C[C@H](C)[C@@](O)(CO)[C@H]3[C@H](OPP)C(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.
What is the InChIKey of (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The InChIKey is XTQCSBFOJBLDSX-IAGVDMHOSA-N. The full InChI is InChI=1S/C21H66O7P32/c1-9-6-13(27-48(51(31)32)52(33)34)20(5)17(21(9,24)8-22)15(25-46-29)11-7-12(26-50(58(45)54(37)38)60(56(41)42)57(43)44)10(2)14(19(11,3)4)16(18(20)23)28-49(53(35)36)59(47-30)55(39)40/h9,11-13,15-17,22,24,46-47H,6-8,29-45H2,1-5H3/t9-,11?,12-,13-,15+,16+,17-,20+,21-,49?,50?,58?,59?/m0/s1.
What are the key properties of (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one?
(2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one has a molecular weight of 1421.92 g/mol, XLogP of 19.64, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,7S,8S,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-7-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-4-hydroxy-4-(hydroxymethyl)-5,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadec-11-en-9-one is sourced from PubChem (CID 59094323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).