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

C20H62O5P32 — CID 58607270

IUPAC(2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1CC[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/C20H62O5P32/c1-9-6-7-13(24-45(48(28)29)49(30)31)20(5)14(9)16(22-43-26)11-8-12(23-47(55(42)51(34)35)57(53(38)39)54(40)41)10(2)15(19(11,3)4)17(18(20)21)25-46(50(32)33)56(44-27)52(36)37/h11-14,16-17,43-44H,1,6-8,26-42H2,2-5H3/t11?,12-,13-,14-,16+,17+,20+,46?,47?,55?,56?/m0/s1
InChIKeyDYQKBKHMYSEUNA-SUPZDGPHSA-N
MW1373.88 g/mol
LogP21.22
Rot. Bonds19

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

(2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (PubChem CID 58607270) has the molecular formula C20H62O5P32 and a molecular weight of 1373.88 g/mol. Its IUPAC name is (2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one.

Molecular Properties

Compound Name(2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
PubChem CID58607270
Molecular FormulaC20H62O5P32
Molecular Weight1373.88 g/mol
Exact Mass1373.62
IUPAC Name(2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1CC[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/C20H62O5P32/c1-9-6-7-13(24-45(48(28)29)49(30)31)20(5)14(9)16(22-43-26)11-8-12(23-47(55(42)51(34)35)57(53(38)39)54(40)41)10(2)15(19(11,3)4)17(18(20)21)25-46(50(32)33)56(44-27)52(36)37/h11-14,16-17,43-44H,1,6-8,26-42H2,2-5H3/t11?,12-,13-,14-,16+,17+,20+,46?,47?,55?,56?/m0/s1
InChIKeyDYQKBKHMYSEUNA-SUPZDGPHSA-N
XLogP21.22
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001373.88
LogP ≤ 521.22
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,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)-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,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The IUPAC name of (2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (CID 58607270) is (2R,3R,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)-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,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The canonical SMILES for (2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is C=C1CC[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,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The InChIKey is DYQKBKHMYSEUNA-SUPZDGPHSA-N. The full InChI is InChI=1S/C20H62O5P32/c1-9-6-7-13(24-45(48(28)29)49(30)31)20(5)14(9)16(22-43-26)11-8-12(23-47(55(42)51(34)35)57(53(38)39)54(40)41)10(2)15(19(11,3)4)17(18(20)21)25-46(50(32)33)56(44-27)52(36)37/h11-14,16-17,43-44H,1,6-8,26-42H2,2-5H3/t11?,12-,13-,14-,16+,17+,20+,46?,47?,55?,56?/m0/s1.
What are the key properties of (2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
(2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one has a molecular weight of 1373.88 g/mol, XLogP of 21.22, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,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)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is sourced from PubChem (CID 58607270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).