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

C22H70O7P32 — CID 59094329

IUPAC(2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
SMILESCC1=CC(C)(C)C([C@@H](OPP)[C@@H]2[C@](O)(CO)[C@@H](C)C[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C22H70O7P32/c1-11-9-20(4,5)14(8-15(11)28-51(59(46)55(38)39)61(57(42)43)58(44)45)17(26-47-30)18-21(6,19(24)13(3)27-50(54(36)37)60(48-31)56(40)41)16(7-12(2)22(18,25)10-23)29-49(52(32)33)53(34)35/h9,12-18,23,25,47-48H,7-8,10,30-46H2,1-6H3/t12-,13+,14?,15-,16-,17+,18-,21+,22-,50?,51?,59?,60?/m0/s1
InChIKeySMDXNLNFPNZYBU-RUAGCMNTSA-N
MW1437.96 g/mol
LogP20.27
Rot. Bonds24

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

(2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one (PubChem CID 59094329) has the molecular formula C22H70O7P32 and a molecular weight of 1437.96 g/mol. Its IUPAC name is (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
PubChem CID59094329
Molecular FormulaC22H70O7P32
Molecular Weight1437.96 g/mol
Exact Mass1437.67
IUPAC Name(2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one
SMILESCC1=CC(C)(C)C([C@@H](OPP)[C@@H]2[C@](O)(CO)[C@@H](C)C[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C22H70O7P32/c1-11-9-20(4,5)14(8-15(11)28-51(59(46)55(38)39)61(57(42)43)58(44)45)17(26-47-30)18-21(6,19(24)13(3)27-50(54(36)37)60(48-31)56(40)41)16(7-12(2)22(18,25)10-23)29-49(52(32)33)53(34)35/h9,12-18,23,25,47-48H,7-8,10,30-46H2,1-6H3/t12-,13+,14?,15-,16-,17+,18-,21+,22-,50?,51?,59?,60?/m0/s1
InChIKeySMDXNLNFPNZYBU-RUAGCMNTSA-N
XLogP20.27
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.96
LogP ≤ 520.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-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,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The IUPAC name of (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one (CID 59094329) is (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one.
What is the SMILES notation for (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The canonical SMILES for (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one is CC1=CC(C)(C)C([C@@H](OPP)[C@@H]2[C@](O)(CO)[C@@H](C)C[C@H](OP(P(P)P)P(P)P)[C@@]2(C)C(=O)[C@@H](C)OP(P(P)P)P(PP)P(P)P)C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
The InChIKey is SMDXNLNFPNZYBU-RUAGCMNTSA-N. The full InChI is InChI=1S/C22H70O7P32/c1-11-9-20(4,5)14(8-15(11)28-51(59(46)55(38)39)61(57(42)43)58(44)45)17(26-47-30)18-21(6,19(24)13(3)27-50(54(36)37)60(48-31)56(40)41)16(7-12(2)22(18,25)10-23)29-49(52(32)33)53(34)35/h9,12-18,23,25,47-48H,7-8,10,30-46H2,1-6H3/t12-,13+,14?,15-,16-,17+,18-,21+,22-,50?,51?,59?,60?/m0/s1.
What are the key properties of (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one?
(2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one has a molecular weight of 1437.96 g/mol, XLogP of 20.27, 24 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1S,2R,3S,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-3-hydroxy-3-(hydroxymethyl)-1,4-dimethylcyclohexyl]-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxypropan-1-one is sourced from PubChem (CID 59094329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).