(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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one

C20H62O6P32 — CID 58607258

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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1[C@@H](O)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/C20H62O6P32/c1-8-11(21)7-13(25-46(49(29)30)50(31)32)20(5)15(8)16(23-44-27)10-6-12(24-48(56(43)52(35)36)58(54(39)40)55(41)42)9(2)14(19(10,3)4)17(18(20)22)26-47(51(33)34)57(45-28)53(37)38/h10-13,15-17,21,44-45H,1,6-7,27-43H2,2-5H3/t10?,11-,12-,13-,15-,16+,17+,20+,47?,48?,56?,57?/m0/s1
InChIKeyDQJSOELJZNKVEP-QBHRAYRISA-N
MW1389.88 g/mol
LogP20.19
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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (PubChem CID 58607258) has the molecular formula C20H62O6P32 and a molecular weight of 1389.88 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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
PubChem CID58607258
Molecular FormulaC20H62O6P32
Molecular Weight1389.88 g/mol
Exact Mass1389.62
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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1[C@@H](O)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/C20H62O6P32/c1-8-11(21)7-13(25-46(49(29)30)50(31)32)20(5)15(8)16(23-44-27)10-6-12(24-48(56(43)52(35)36)58(54(39)40)55(41)42)9(2)14(19(10,3)4)17(18(20)22)26-47(51(33)34)57(45-28)53(37)38/h10-13,15-17,21,44-45H,1,6-7,27-43H2,2-5H3/t10?,11-,12-,13-,15-,16+,17+,20+,47?,48?,56?,57?/m0/s1
InChIKeyDQJSOELJZNKVEP-QBHRAYRISA-N
XLogP20.19
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001389.88
LogP ≤ 520.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (CID 58607258) 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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is C=C1[C@@H](O)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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The InChIKey is DQJSOELJZNKVEP-QBHRAYRISA-N. The full InChI is InChI=1S/C20H62O6P32/c1-8-11(21)7-13(25-46(49(29)30)50(31)32)20(5)15(8)16(23-44-27)10-6-12(24-48(56(43)52(35)36)58(54(39)40)55(41)42)9(2)14(19(10,3)4)17(18(20)22)26-47(51(33)34)57(45-28)53(37)38/h10-13,15-17,21,44-45H,1,6-7,27-43H2,2-5H3/t10?,11-,12-,13-,15-,16+,17+,20+,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-hydroxy-8,12,15,15-tetramethyl-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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one has a molecular weight of 1389.88 g/mol, XLogP of 20.19, 19 rotatable bonds, 1 hydrogen bond donors, and 6 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-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is sourced from PubChem (CID 58607258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).