(2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one

C21H64O5P32 — CID 59050668

IUPAC(2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1[C@@H](C)C[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](OPP)[C@H]12)C3(C)C
InChIInChI=1S/C21H64O5P32/c1-9-7-14(25-46(49(29)30)50(31)32)21(6)16(10(9)2)17(23-44-27)12-8-13(24-48(56(43)52(35)36)58(54(39)40)55(41)42)11(3)15(20(12,4)5)18(19(21)22)26-47(51(33)34)57(45-28)53(37)38/h9,12-14,16-18,44-45H,2,7-8,27-43H2,1,3-6H3/t9-,12?,13-,14-,16-,17+,18+,21+,47?,48?,56?,57?/m0/s1
InChIKeyVRMFDNAFPHPRFT-LCPYGZHPSA-N
MW1387.91 g/mol
LogP21.47
Rot. Bonds19

About (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one

(2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (PubChem CID 59050668) has the molecular formula C21H64O5P32 and a molecular weight of 1387.91 g/mol. Its IUPAC name is (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one.

Molecular Properties

Compound Name(2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
PubChem CID59050668
Molecular FormulaC21H64O5P32
Molecular Weight1387.91 g/mol
Exact Mass1387.64
IUPAC Name(2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1[C@@H](C)C[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](OPP)[C@H]12)C3(C)C
InChIInChI=1S/C21H64O5P32/c1-9-7-14(25-46(49(29)30)50(31)32)21(6)16(10(9)2)17(23-44-27)12-8-13(24-48(56(43)52(35)36)58(54(39)40)55(41)42)11(3)15(20(12,4)5)18(19(21)22)26-47(51(33)34)57(45-28)53(37)38/h9,12-14,16-18,44-45H,2,7-8,27-43H2,1,3-6H3/t9-,12?,13-,14-,16-,17+,18+,21+,47?,48?,56?,57?/m0/s1
InChIKeyVRMFDNAFPHPRFT-LCPYGZHPSA-N
XLogP21.47
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001387.91
LogP ≤ 521.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The IUPAC name of (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (CID 59050668) is (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one.
What is the SMILES notation for (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The canonical SMILES for (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is C=C1[C@@H](C)C[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@H](OP(P(P)P)P(PP)P(P)P)C3=C(C)[C@@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)CC([C@@H](OPP)[C@H]12)C3(C)C.
What is the InChIKey of (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The InChIKey is VRMFDNAFPHPRFT-LCPYGZHPSA-N. The full InChI is InChI=1S/C21H64O5P32/c1-9-7-14(25-46(49(29)30)50(31)32)21(6)16(10(9)2)17(23-44-27)12-8-13(24-48(56(43)52(35)36)58(54(39)40)55(41)42)11(3)15(20(12,4)5)18(19(21)22)26-47(51(33)34)57(45-28)53(37)38/h9,12-14,16-18,44-45H,2,7-8,27-43H2,1,3-6H3/t9-,12?,13-,14-,16-,17+,18+,21+,47?,48?,56?,57?/m0/s1.
What are the key properties of (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
(2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one has a molecular weight of 1387.91 g/mol, XLogP of 21.47, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,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)-5,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is sourced from PubChem (CID 59050668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).