(2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one

C21H66O6P32 — CID 59094322

IUPAC(2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
SMILESC=C1[C@@H](O)C[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/C21H66O6P32/c1-10-9-20(4,5)13(7-15(10)26-49(57(44)53(36)37)59(55(40)41)56(42)43)18(24-45-28)17-11(2)14(22)8-16(27-47(50(30)31)51(32)33)21(17,6)19(23)12(3)25-48(52(34)35)58(46-29)54(38)39/h9,12-18,22,45-46H,2,7-8,28-44H2,1,3-6H3/t12-,13?,14+,15+,16+,17+,18-,21-,48?,49?,57?,58?/m1/s1
InChIKeyGNQKSWRPNHCDOW-ANMVXRMZSA-N
MW1405.92 g/mol
LogP20.83
Rot. Bonds23

About (2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one

(2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one (PubChem CID 59094322) has the molecular formula C21H66O6P32 and a molecular weight of 1405.92 g/mol. Its IUPAC name is (2R)-1-[(1S,2R,4S,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-4-hydroxy-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,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
PubChem CID59094322
Molecular FormulaC21H66O6P32
Molecular Weight1405.92 g/mol
Exact Mass1405.65
IUPAC Name(2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
SMILESC=C1[C@@H](O)C[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/C21H66O6P32/c1-10-9-20(4,5)13(7-15(10)26-49(57(44)53(36)37)59(55(40)41)56(42)43)18(24-45-28)17-11(2)14(22)8-16(27-47(50(30)31)51(32)33)21(17,6)19(23)12(3)25-48(52(34)35)58(46-29)54(38)39/h9,12-18,22,45-46H,2,7-8,28-44H2,1,3-6H3/t12-,13?,14+,15+,16+,17+,18-,21-,48?,49?,57?,58?/m1/s1
InChIKeyGNQKSWRPNHCDOW-ANMVXRMZSA-N
XLogP20.83
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.92
LogP ≤ 520.83
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)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1S,2R,4S,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-4-hydroxy-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,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one (CID 59094322) is (2R)-1-[(1S,2R,4S,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-4-hydroxy-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,4S,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-4-hydroxy-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,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one is C=C1[C@@H](O)C[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,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The InChIKey is GNQKSWRPNHCDOW-ANMVXRMZSA-N. The full InChI is InChI=1S/C21H66O6P32/c1-10-9-20(4,5)13(7-15(10)26-49(57(44)53(36)37)59(55(40)41)56(42)43)18(24-45-28)17-11(2)14(22)8-16(27-47(50(30)31)51(32)33)21(17,6)19(23)12(3)25-48(52(34)35)58(46-29)54(38)39/h9,12-18,22,45-46H,2,7-8,28-44H2,1,3-6H3/t12-,13?,14+,15+,16+,17+,18-,21-,48?,49?,57?,58?/m1/s1.
What are the key properties of (2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
(2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one has a molecular weight of 1405.92 g/mol, XLogP of 20.83, 23 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S,2R,4S,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-4-hydroxy-1-methyl-3-methylidenecyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one is sourced from PubChem (CID 59094322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).