[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium

C27H39NO8P+ — CID 10744930

IUPAC[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium
SMILESCC[NH+](CC)CC.CO[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@@H]2[C@H](O[P+](=O)[O-])[C@H]1OCc1ccccc1
InChIInChI=1S/C21H23O8P.C6H15N/c1-24-21-19(25-12-14-8-4-2-5-9-14)18(29-30(22)23)17-16(27-21)13-26-20(28-17)15-10-6-3-7-11-15;1-4-7(5-2)6-3/h2-11,16-21H,12-13H2,1H3;4-6H2,1-3H3/p+1/t16-,17+,18+,19-,20?,21-;/m1./s1
InChIKeyYYESODRBIWRQBT-OVAMTFGTSA-O
MW536.58 g/mol
LogP2.39
Rot. Bonds10

About [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium

[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium (PubChem CID 10744930) has the molecular formula C27H39NO8P+ and a molecular weight of 536.58 g/mol. Its IUPAC name is [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium.

Molecular Properties

Compound Name[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium
PubChem CID10744930
Molecular FormulaC27H39NO8P+
Molecular Weight536.58 g/mol
Exact Mass536.24
IUPAC Name[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium
SMILESCC[NH+](CC)CC.CO[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@@H]2[C@H](O[P+](=O)[O-])[C@H]1OCc1ccccc1
InChIInChI=1S/C21H23O8P.C6H15N/c1-24-21-19(25-12-14-8-4-2-5-9-14)18(29-30(22)23)17-16(27-21)13-26-20(28-17)15-10-6-3-7-11-15;1-4-7(5-2)6-3/h2-11,16-21H,12-13H2,1H3;4-6H2,1-3H3/p+1/t16-,17+,18+,19-,20?,21-;/m1./s1
InChIKeyYYESODRBIWRQBT-OVAMTFGTSA-O
XLogP2.39
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.58
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium with MolForge

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Related Compounds

(2R,4aR,6S,7S,8S,8aR)-6-[[(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10509570
(6R,8S,8aS)-6-methoxy-7-[(4-methoxyphenyl)methoxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 59269860
(6S,8aR)-6-methoxy-7-[(4-nitrophenyl)methoxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 134864765
(2S,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 71489871
[(4aR,6S,7R,8S,8aR)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzyl carbonate
CID 102239271
(4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7-carbaldehyde
CID 102278450
[(2R,4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] trifluoromethanesulfonate
CID 10097621
(2R,4aS,6R,7R,8S,8aR)-2-phenyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 71776412
(2S,4aR,6S,7R,8S,8aS)-2-phenyl-6,7,8-tris(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 97045413
(4aR,6S,7R,8S,8aR)-6-methoxy-8-naphthalen-2-yloxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 177405126
2-[(4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetaldehyde
CID 12068096
(4aR,6S,7R,8R,8aR)-8-[[(4aR,6S,7S,8R,8aR)-8-[[(4aR,6S,7S,8S,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-7-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 102349967

Frequently Asked Questions

What is the IUPAC name of [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium?
The IUPAC name of [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium (CID 10744930) is [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium.
What is the SMILES notation for [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium?
The canonical SMILES for [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium is CC[NH+](CC)CC.CO[C@@H]1O[C@@H]2COC(c3ccccc3)O[C@@H]2[C@H](O[P+](=O)[O-])[C@H]1OCc1ccccc1.
What is the InChIKey of [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium?
The InChIKey is YYESODRBIWRQBT-OVAMTFGTSA-O. The full InChI is InChI=1S/C21H23O8P.C6H15N/c1-24-21-19(25-12-14-8-4-2-5-9-14)18(29-30(22)23)17-16(27-21)13-26-20(28-17)15-10-6-3-7-11-15;1-4-7(5-2)6-3/h2-11,16-21H,12-13H2,1H3;4-6H2,1-3H3/p+1/t16-,17+,18+,19-,20?,21-;/m1./s1.
What are the key properties of [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium?
[(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium has a molecular weight of 536.58 g/mol, XLogP of 2.39, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,6R,7R,8S,8aS)-6-methoxy-2-phenyl-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-oxido-oxophosphanium;triethylazanium is sourced from PubChem (CID 10744930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).