(8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene

C23H32O4P2 — CID 173489539

IUPAC(8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene
SMILESC[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@@H]2C[C@H]3[C@H]4OC(C)(C)O[C@@H]4[C@H](C)[P@@]3c3ccccc3P12
InChIInChI=1S/C23H32O4P2/c1-12-18-20(26-22(3,4)24-18)16-11-17-21-19(25-23(5,6)27-21)13(2)29(17)15-10-8-7-9-14(15)28(12)16/h7-10,12-13,16-21H,11H2,1-6H3/t12-,13-,16-,17-,18+,19+,20+,21+,28-,29?/m0/s1
InChIKeyROJCMMFUFGJKBO-UWCNKADNSA-N
MW434.45 g/mol
LogP3.89
Rot. Bonds

About (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene

(8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene (PubChem CID 173489539) has the molecular formula C23H32O4P2 and a molecular weight of 434.45 g/mol. Its IUPAC name is (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene.

Molecular Properties

Compound Name(8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene
PubChem CID173489539
Molecular FormulaC23H32O4P2
Molecular Weight434.45 g/mol
Exact Mass434.18
IUPAC Name(8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene
SMILESC[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@@H]2C[C@H]3[C@H]4OC(C)(C)O[C@@H]4[C@H](C)[P@@]3c3ccccc3P12
InChIInChI=1S/C23H32O4P2/c1-12-18-20(26-22(3,4)24-18)16-11-17-21-19(25-23(5,6)27-21)13(2)29(17)15-10-8-7-9-14(15)28(12)16/h7-10,12-13,16-21H,11H2,1-6H3/t12-,13-,16-,17-,18+,19+,20+,21+,28-,29?/m0/s1
InChIKeyROJCMMFUFGJKBO-UWCNKADNSA-N
XLogP3.89
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene with MolForge

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Related Compounds

(9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene
CID 88877397
(4R,6R,6aS)-5-[2-[(3aS,4R,6R)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
CID 139305520
(4S,6aS)-5-[2-[(3aS)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
CID 88877037
(4S,6aS)-2,2,4,6-tetramethyl-5-[2-[(4S,6S)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxol-5-yl]phenyl]-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
CID 88877038
(3aS,4S,6S,6aS)-5-[2-[(3aS,4S,6S,6aS)-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydro-3H-phospholo[3,4-b]furan-5-yl]phenyl]-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
CID 88912218
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-3-[(2R,5R)-1-[2-[(2S,5S)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholan-3-yl]-2,5-dimethylphospholane
CID 139306011
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(2S,5S)-2,5-dimethyl-7-[2-[(2S)-2-methyl-7-phosphabicyclo[2.2.1]heptan-7-yl]phenyl]-7-phosphabicyclo[2.2.1]heptane
CID 118486235

Frequently Asked Questions

What is the IUPAC name of (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene?
The IUPAC name of (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene (CID 173489539) is (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene.
What is the SMILES notation for (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene?
The canonical SMILES for (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene is C[C@H]1[C@H]2OC(C)(C)O[C@@H]2[C@@H]2C[C@H]3[C@H]4OC(C)(C)O[C@@H]4[C@H](C)[P@@]3c3ccccc3P12.
What is the InChIKey of (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene?
The InChIKey is ROJCMMFUFGJKBO-UWCNKADNSA-N. The full InChI is InChI=1S/C23H32O4P2/c1-12-18-20(26-22(3,4)24-18)16-11-17-21-19(25-23(5,6)27-21)13(2)29(17)15-10-8-7-9-14(15)28(12)16/h7-10,12-13,16-21H,11H2,1-6H3/t12-,13-,16-,17-,18+,19+,20+,21+,28-,29?/m0/s1.
What are the key properties of (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene?
(8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene has a molecular weight of 434.45 g/mol, XLogP of 3.89, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9S,10S,14S,15S,17S,18S,22S,23S)-9,12,12,20,20,23-hexamethyl-11,13,19,21-tetraoxa-1,8-diphosphahexacyclo[15.6.0.02,7.08,15.010,14.018,22]tricosa-2,4,6-triene is sourced from PubChem (CID 173489539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).