(2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one

C21H66O5P32 — CID 59094326

IUPAC(2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
SMILESC=C1CC[C@H](OP(P(P)P)P(P)P)[C@@](C)(C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@@H]1[C@H](OPP)C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C
InChIInChI=1S/C21H66O5P32/c1-11-7-8-16(26-46(49(29)30)50(31)32)21(6,19(22)13(3)24-47(51(33)34)57(45-28)53(37)38)17(11)18(23-44-27)14-9-15(12(2)10-20(14,4)5)25-48(56(43)52(35)36)58(54(39)40)55(41)42/h10,13-18,44-45H,1,7-9,27-43H2,2-6H3/t13-,14?,15+,16+,17+,18-,21-,47?,48?,56?,57?/m1/s1
InChIKeyNCBZLVIXLVWNAT-IIOQYFIVSA-N
MW1389.92 g/mol
LogP21.86
Rot. Bonds23

About (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one

(2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one (PubChem CID 59094326) has the molecular formula C21H66O5P32 and a molecular weight of 1389.92 g/mol. Its IUPAC name is (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
PubChem CID59094326
Molecular FormulaC21H66O5P32
Molecular Weight1389.92 g/mol
Exact Mass1389.65
IUPAC Name(2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
SMILESC=C1CC[C@H](OP(P(P)P)P(P)P)[C@@](C)(C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@@H]1[C@H](OPP)C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C
InChIInChI=1S/C21H66O5P32/c1-11-7-8-16(26-46(49(29)30)50(31)32)21(6,19(22)13(3)24-47(51(33)34)57(45-28)53(37)38)17(11)18(23-44-27)14-9-15(12(2)10-20(14,4)5)25-48(56(43)52(35)36)58(54(39)40)55(41)42/h10,13-18,44-45H,1,7-9,27-43H2,2-6H3/t13-,14?,15+,16+,17+,18-,21-,47?,48?,56?,57?/m1/s1
InChIKeyNCBZLVIXLVWNAT-IIOQYFIVSA-N
XLogP21.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001389.92
LogP ≤ 521.86
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The IUPAC name of (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one (CID 59094326) is (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one.
What is the SMILES notation for (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The canonical SMILES for (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one is C=C1CC[C@H](OP(P(P)P)P(P)P)[C@@](C)(C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)[C@@H]1[C@H](OPP)C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C.
What is the InChIKey of (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The InChIKey is NCBZLVIXLVWNAT-IIOQYFIVSA-N. The full InChI is InChI=1S/C21H66O5P32/c1-11-7-8-16(26-46(49(29)30)50(31)32)21(6,19(22)13(3)24-47(51(33)34)57(45-28)53(37)38)17(11)18(23-44-27)14-9-15(12(2)10-20(14,4)5)25-48(56(43)52(35)36)58(54(39)40)55(41)42/h10,13-18,44-45H,1,7-9,27-43H2,2-6H3/t13-,14?,15+,16+,17+,18-,21-,47?,48?,56?,57?/m1/s1.
What are the key properties of (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
(2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one has a molecular weight of 1389.92 g/mol, XLogP of 21.86, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S,2R,6S)-2-[(R)-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-(diphosphanyloxy)methyl]-6-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one is sourced from PubChem (CID 59094326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).