(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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one

C22H64O7P30 — CID 59041965

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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one
SMILESC=C(CCCOP(P(P)P)P(P)P)C1([C@H](C)C(=O)[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/C22H64O7P30/c1-12-11-21(5,6)16(10-17(12)29-49(57(45)53(37)38)59(55(41)42)56(43)44)19-22(27-20(24)26-19,13(2)8-7-9-25-47(50(31)32)51(33)34)14(3)18(23)15(4)28-48(52(35)36)58(46-30)54(39)40/h11,14-17,19,46H,2,7-10,30-45H2,1,3-6H3/t14-,15-,16?,17+,19-,22?,48?,49?,57?,58?/m1/s1
InChIKeyYUACIHKDVKLAAV-NSHPAQCZSA-N
MW1369.97 g/mol
LogP21.00
Rot. Bonds25

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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one (PubChem CID 59041965) has the molecular formula C22H64O7P30 and a molecular weight of 1369.97 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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one
PubChem CID59041965
Molecular FormulaC22H64O7P30
Molecular Weight1369.97 g/mol
Exact Mass1369.68
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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one
SMILESC=C(CCCOP(P(P)P)P(P)P)C1([C@H](C)C(=O)[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/C22H64O7P30/c1-12-11-21(5,6)16(10-17(12)29-49(57(45)53(37)38)59(55(41)42)56(43)44)19-22(27-20(24)26-19,13(2)8-7-9-25-47(50(31)32)51(33)34)14(3)18(23)15(4)28-48(52(35)36)58(46-30)54(39)40/h11,14-17,19,46H,2,7-10,30-45H2,1,3-6H3/t14-,15-,16?,17+,19-,22?,48?,49?,57?,58?/m1/s1
InChIKeyYUACIHKDVKLAAV-NSHPAQCZSA-N
XLogP21.00
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001369.97
LogP ≤ 521.00
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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one (CID 59041965) 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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one is C=C(CCCOP(P(P)P)P(P)P)C1([C@H](C)C(=O)[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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one?
The InChIKey is YUACIHKDVKLAAV-NSHPAQCZSA-N. The full InChI is InChI=1S/C22H64O7P30/c1-12-11-21(5,6)16(10-17(12)29-49(57(45)53(37)38)59(55(41)42)56(43)44)19-22(27-20(24)26-19,13(2)8-7-9-25-47(50(31)32)51(33)34)14(3)18(23)15(4)28-48(52(35)36)58(46-30)54(39)40/h11,14-17,19,46H,2,7-10,30-45H2,1,3-6H3/t14-,15-,16?,17+,19-,22?,48?,49?,57?,58?/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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one has a molecular weight of 1369.97 g/mol, XLogP of 21.00, 25 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-[(2S,4R)-4-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-oxopentan-2-yl]-1,3-dioxolan-2-one is sourced from PubChem (CID 59041965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).