(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

C25H38O3P2 — CID 88912218

IUPAC(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
SMILESC[C@H]1[C@H]2CC(C)(C)O[C@@H]2[C@H](C)P1c1ccccc1P1[C@@H](C)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1C
InChIInChI=1S/C25H38O3P2/c1-14-18-13-24(5,6)26-21(18)15(2)29(14)19-11-9-10-12-20(19)30-16(3)22-23(17(30)4)28-25(7,8)27-22/h9-12,14-18,21-23H,13H2,1-8H3/t14-,15-,16-,17-,18+,21+,22+,23+,29?/m0/s1
InChIKeyJGCBZDCCZCFQSQ-CTOUQKIISA-N
MW448.52 g/mol
LogP5.19
Rot. Bonds2

About (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

(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 (PubChem CID 88912218) has the molecular formula C25H38O3P2 and a molecular weight of 448.52 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID88912218
Molecular FormulaC25H38O3P2
Molecular Weight448.52 g/mol
Exact Mass448.23
IUPAC Name(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
SMILESC[C@H]1[C@H]2CC(C)(C)O[C@@H]2[C@H](C)P1c1ccccc1P1[C@@H](C)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1C
InChIInChI=1S/C25H38O3P2/c1-14-18-13-24(5,6)26-21(18)15(2)29(14)19-11-9-10-12-20(19)30-16(3)22-23(17(30)4)28-25(7,8)27-22/h9-12,14-18,21-23H,13H2,1-8H3/t14-,15-,16-,17-,18+,21+,22+,23+,29?/m0/s1
InChIKeyJGCBZDCCZCFQSQ-CTOUQKIISA-N
XLogP5.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

(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
(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
(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
11,11-dimethyl-10,12-dioxatetracyclo[6.5.2.02,7.09,13]pentadeca-2,4,6,14-tetraene
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bis(1-[2-(2,5-dimethylphospholan-1-yl)phenyl]-2,5-dimethylphospholane);gold(1+);chloride
CID 23641823
(2S,4R)-1-[2-[(2R,4S)-2,4-dimethylphosphetan-1-yl]phenyl]-2-[[(2R,3S)-1-[2-[(2S,3R)-2,3-dimethylphosphiran-1-yl]phenyl]-3-methylphosphiran-2-yl]methyl]-2,4-dimethylphosphetane
CID 167095524
4,6-dibenzyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole
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(1R,3R,3aS,7aS)-2-[2-[(1R,3R,3aS,7aS)-1,3-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisophosphindol-2-yl]phenyl]-1,3-dimethyl-1,3,3a,4,5,6,7,7a-octahydroisophosphindole;(3aS,4R,6R,6aS)-5-[2-[(3aS,4R,6R,6aS)-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;(3S,4S)-1-[2-[(3S)-3,4-dimethoxyphospholan-1-yl]phenyl]-3,4-dimethylphospholane;(3R,5R)-4-[2-[(3R,5R)-3,5-dimethyl-1,2,4-diazaphospholidin-4-yl]phenyl]-3,5-dimethyl-1,2,4-diazaphospholidine;(1R,3R)-2-[2-[(1R,3R)-1,3-dimethyl-1,3-dihydroisophosphindol-2-yl]phenyl]-1,3-dimethyl-1,3-dihydroisophosphindole;(2R,5R)-1-[2-[(2S,3S)-2,3-dimethylphosphiran-1-yl]phenyl]-2,5-dimethylphospholane;[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-diphenylphosphane;[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-methyl-phenylphosphane;(1R,2R,6R,8R)-7-[2-[(1R,2R,6R,8R)-7-phosphatricyclo[6.3.0.02,6]undecan-7-yl]phenyl]-7-phosphatricyclo[6.3.0.02,6]undecane;(3R,5R)-1,2,3,5-tetramethyl-4-[2-[(3R,5R)-1,2,3,5-tetramethyl-1,2,4-diazaphospholidin-4-yl]phenyl]-1,2,4-diazaphospholidine
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(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane
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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@H]1[C@H]2CC(C)(C)O[C@@H]2[C@H](C)P1c1ccccc1P1[C@@H](C)[C@H]2OC(C)(C)O[C@@H]2[C@@H]1C.
What is the InChIKey of (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?
The InChIKey is JGCBZDCCZCFQSQ-CTOUQKIISA-N. The full InChI is InChI=1S/C25H38O3P2/c1-14-18-13-24(5,6)26-21(18)15(2)29(14)19-11-9-10-12-20(19)30-16(3)22-23(17(30)4)28-25(7,8)27-22/h9-12,14-18,21-23H,13H2,1-8H3/t14-,15-,16-,17-,18+,21+,22+,23+,29?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 448.52 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 88912218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).