(5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one

C22H75O7P39 — CID 59041973

IUPAC(5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one
SMILESC=C(CCCOP(P(P)P)P(P)P)C1([C@H](C)[C@@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)OP(P(P)P)P(PP)P(P)P)OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C
InChIInChI=1S/C22H75O7P39/c1-12-11-21(5,6)16(10-17(12)28-55(66(50)61(41)42)68(63(45)46)64(47)48)19-22(26-20(23)25-19,13(2)8-7-9-24-52(56(31)32)57(33)34)14(3)18(29-53(58(35)36)65(49)60(39)40)15(4)27-54(59(37)38)67(51-30)62(43)44/h11,14-19,51H,2,7-10,30-50H2,1,3-6H3/t14-,15-,16?,17+,18-,19-,22?,53?,54?,55?,65?,66?,67?/m1/s1
InChIKeyPBSRAKIDVCVGIY-QFHDZDDKSA-N
MW1659.82 g/mol
LogP26.35
Rot. Bonds30

About (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one

(5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one (PubChem CID 59041973) has the molecular formula C22H75O7P39 and a molecular weight of 1659.82 g/mol. Its IUPAC name is (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one
PubChem CID59041973
Molecular FormulaC22H75O7P39
Molecular Weight1659.82 g/mol
Exact Mass1659.53
IUPAC Name(5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one
SMILESC=C(CCCOP(P(P)P)P(P)P)C1([C@H](C)[C@@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)OP(P(P)P)P(PP)P(P)P)OC(=O)O[C@@H]1C1C[C@H](OP(P(P)P(P)P)P(P(P)P)P(P)P)C(C)=CC1(C)C
InChIInChI=1S/C22H75O7P39/c1-12-11-21(5,6)16(10-17(12)28-55(66(50)61(41)42)68(63(45)46)64(47)48)19-22(26-20(23)25-19,13(2)8-7-9-24-52(56(31)32)57(33)34)14(3)18(29-53(58(35)36)65(49)60(39)40)15(4)27-54(59(37)38)67(51-30)62(43)44/h11,14-19,51H,2,7-10,30-50H2,1,3-6H3/t14-,15-,16?,17+,18-,19-,22?,53?,54?,55?,65?,66?,67?/m1/s1
InChIKeyPBSRAKIDVCVGIY-QFHDZDDKSA-N
XLogP26.35
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001659.82
LogP ≤ 526.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one?
The IUPAC name of (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one (CID 59041973) is (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one.
What is the SMILES notation for (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one?
The canonical SMILES for (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one is C=C(CCCOP(P(P)P)P(P)P)C1([C@H](C)[C@@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)OP(P(P)P)P(PP)P(P)P)OC(=O)O[C@@H]1C1C[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 (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one?
The InChIKey is PBSRAKIDVCVGIY-QFHDZDDKSA-N. The full InChI is InChI=1S/C22H75O7P39/c1-12-11-21(5,6)16(10-17(12)28-55(66(50)61(41)42)68(63(45)46)64(47)48)19-22(26-20(23)25-19,13(2)8-7-9-24-52(56(31)32)57(33)34)14(3)18(29-53(58(35)36)65(49)60(39)40)15(4)27-54(59(37)38)67(51-30)62(43)44/h11,14-19,51H,2,7-10,30-50H2,1,3-6H3/t14-,15-,16?,17+,18-,19-,22?,53?,54?,55?,65?,66?,67?/m1/s1.
What are the key properties of (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one?
(5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one has a molecular weight of 1659.82 g/mol, XLogP of 26.35, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5S)-5-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-2,2,4-trimethylcyclohex-3-en-1-yl]-4-[5-bis[bis(phosphanyl)phosphanyl]phosphanyloxypent-1-en-2-yl]-4-[(2R,3R,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxypentan-2-yl]-1,3-dioxolan-2-one is sourced from PubChem (CID 59041973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).