(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

C24H36O4P2 — CID 139305520

IUPAC(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
SMILESC[C@@H]1C2OC(C)(C)O[C@@H]2[C@@H](C)P1c1ccccc1P1[C@H](C)C2OC(C)(C)O[C@@H]2[C@H]1C
InChIInChI=1S/C24H36O4P2/c1-13-19-20(26-23(5,6)25-19)14(2)29(13)17-11-9-10-12-18(17)30-15(3)21-22(16(30)4)28-24(7,8)27-21/h9-16,19-22H,1-8H3/t13-,14-,15-,16-,19-,20?,21-,22?,29?,30?/m1/s1
InChIKeyFAXNYESSWMPAKD-KPEUNKKESA-N
MW450.50 g/mol
LogP4.52
Rot. Bonds2

About (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

(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 (PubChem CID 139305520) has the molecular formula C24H36O4P2 and a molecular weight of 450.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID139305520
Molecular FormulaC24H36O4P2
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC Name(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
SMILESC[C@@H]1C2OC(C)(C)O[C@@H]2[C@@H](C)P1c1ccccc1P1[C@H](C)C2OC(C)(C)O[C@@H]2[C@H]1C
InChIInChI=1S/C24H36O4P2/c1-13-19-20(26-23(5,6)25-19)14(2)29(13)17-11-9-10-12-18(17)30-15(3)21-22(16(30)4)28-24(7,8)27-21/h9-16,19-22H,1-8H3/t13-,14-,15-,16-,19-,20?,21-,22?,29?,30?/m1/s1
InChIKeyFAXNYESSWMPAKD-KPEUNKKESA-N
XLogP4.52
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
(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
11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene
CID 58427899
4,6-dibenzyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
CID 20718104
(3aR,4R,6S,6aS)-5-benzyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 10869050
(2S,3S,4S,5S)-1-[2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane-3,4-diol;methanesulfonic acid
CID 162233383
(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
bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride
CID 23641823
[(3aR,6S)-2,2,6-trimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol;yttrium
CID 59088465

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H]1C2OC(C)(C)O[C@@H]2[C@@H](C)P1c1ccccc1P1[C@H](C)C2OC(C)(C)O[C@@H]2[C@H]1C.
What is the InChIKey of (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?
The InChIKey is FAXNYESSWMPAKD-KPEUNKKESA-N. The full InChI is InChI=1S/C24H36O4P2/c1-13-19-20(26-23(5,6)25-19)14(2)29(13)17-11-9-10-12-18(17)30-15(3)21-22(16(30)4)28-24(7,8)27-21/h9-16,19-22H,1-8H3/t13-,14-,15-,16-,19-,20?,21-,22?,29?,30?/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 450.50 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 139305520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).