(2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C19H26O6 — CID 25232317

IUPAC(2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESO[C@@H]1[C@@H](OC2CCCCC2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O
InChIInChI=1S/C19H26O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t14-,15-,16+,17-,18-,19+/m1/s1
InChIKeyBZJMNNBTATTYEA-RRQVMCLOSA-N
MW350.41 g/mol
LogP1.90
Rot. Bonds3

About (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

(2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 25232317) has the molecular formula C19H26O6 and a molecular weight of 350.41 g/mol. Its IUPAC name is (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name(2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID25232317
Molecular FormulaC19H26O6
Molecular Weight350.41 g/mol
Exact Mass350.17
IUPAC Name(2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESO[C@@H]1[C@@H](OC2CCCCC2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O
InChIInChI=1S/C19H26O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t14-,15-,16+,17-,18-,19+/m1/s1
InChIKeyBZJMNNBTATTYEA-RRQVMCLOSA-N
XLogP1.90
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol with MolForge

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Related Compounds

(2R,4aR,6R,7R,8R,8aS)-6-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 11168312
N-[(4aR,6R,7R,8R,8aS)-6-cyclohexyloxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 100983975
(2R,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 906007
(2S,4aR,6R,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 86316912
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10468969
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 643246
(4aS,6S,8R,8aS)-6-[[(2S,3R,5R)-3,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]oxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 69087167
(2S,4aR,7R,8S,8aS)-6-cyclohexyloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 10951566
(4aR,6R,7S,8S,8aR)-6-cyclohexyloxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 122226975
5-[(7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-6-(hydroxymethyl)oxane-2,3,4-triol
CID 14522989
(2R,5S)-5-[[(6S,8aS)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-6-(hydroxymethyl)oxane-2,3,4-triol
CID 134839377
6-ethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 73455690

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 25232317) is (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is O[C@@H]1[C@@H](OC2CCCCC2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1O.
What is the InChIKey of (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is BZJMNNBTATTYEA-RRQVMCLOSA-N. The full InChI is InChI=1S/C19H26O6/c20-15-16(21)19(23-13-9-5-2-6-10-13)24-14-11-22-18(25-17(14)15)12-7-3-1-4-8-12/h1,3-4,7-8,13-21H,2,5-6,9-11H2/t14-,15-,16+,17-,18-,19+/m1/s1.
What are the key properties of (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
(2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 350.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,6S,7S,8R,8aS)-6-cyclohexyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 25232317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).