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

C21H57O4P25 — CID 59041959

IUPAC(2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1CC[C@H](C)[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/C21H57O4P25/c1-10-7-8-11(2)21(6)15(10)17(23-39-26)13-9-14(24-42(48(38)44(30)31)50(46(34)35)47(36)37)12(3)16(20(13,4)5)18(19(21)22)25-41(43(28)29)49(40-27)45(32)33/h11,13-15,17-18,39-40H,1,7-9,26-38H2,2-6H3/t11-,13?,14-,15-,17+,18+,21+,41?,42?,48?,49?/m0/s1
InChIKeyLIYAMQISDWCBFG-JCUHHVRCSA-N
MW1148.03 g/mol
LogP18.12
Rot. Bonds15

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

(2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (PubChem CID 59041959) has the molecular formula C21H57O4P25 and a molecular weight of 1148.03 g/mol. Its IUPAC name is (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one.

Molecular Properties

Compound Name(2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
PubChem CID59041959
Molecular FormulaC21H57O4P25
Molecular Weight1148.03 g/mol
Exact Mass1147.77
IUPAC Name(2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one
SMILESC=C1CC[C@H](C)[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/C21H57O4P25/c1-10-7-8-11(2)21(6)15(10)17(23-39-26)13-9-14(24-42(48(38)44(30)31)50(46(34)35)47(36)37)12(3)16(20(13,4)5)18(19(21)22)25-41(43(28)29)49(40-27)45(32)33/h11,13-15,17-18,39-40H,1,7-9,26-38H2,2-6H3/t11-,13?,14-,15-,17+,18+,21+,41?,42?,48?,49?/m0/s1
InChIKeyLIYAMQISDWCBFG-JCUHHVRCSA-N
XLogP18.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.03
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-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,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The IUPAC name of (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one (CID 59041959) is (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one.
What is the SMILES notation for (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The canonical SMILES for (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is C=C1CC[C@H](C)[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,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
The InChIKey is LIYAMQISDWCBFG-JCUHHVRCSA-N. The full InChI is InChI=1S/C21H57O4P25/c1-10-7-8-11(2)21(6)15(10)17(23-39-26)13-9-14(24-42(48(38)44(30)31)50(46(34)35)47(36)37)12(3)16(20(13,4)5)18(19(21)22)25-41(43(28)29)49(40-27)45(32)33/h11,13-15,17-18,39-40H,1,7-9,26-38H2,2-6H3/t11-,13?,14-,15-,17+,18+,21+,41?,42?,48?,49?/m0/s1.
What are the key properties of (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one?
(2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one has a molecular weight of 1148.03 g/mol, XLogP of 18.12, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,7S,8R,10R,13S)-13-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-10-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-2-(diphosphanyloxy)-7,8,12,15,15-pentamethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-9-one is sourced from PubChem (CID 59041959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).