(2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one

C29H30O6 — CID 102307924

IUPAC(2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one
SMILESCO[C@H]1O[C@@H]2C(=O)C[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H30O6/c1-31-29-28(33-19-21-13-7-3-8-14-21)26(32-18-20-11-5-2-6-12-20)27-25(35-29)23(30)17-24(34-27)22-15-9-4-10-16-22/h2-16,24-29H,17-19H2,1H3/t24-,25-,26+,27-,28?,29+/m1/s1
InChIKeyYRMDVCHKHFZIQN-ICHYBAGLSA-N
MW474.55 g/mol
LogP4.63
Rot. Bonds8

About (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one

(2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one (PubChem CID 102307924) has the molecular formula C29H30O6 and a molecular weight of 474.55 g/mol. Its IUPAC name is (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one.

Molecular Properties

Compound Name(2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one
PubChem CID102307924
Molecular FormulaC29H30O6
Molecular Weight474.55 g/mol
Exact Mass474.20
IUPAC Name(2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one
SMILESCO[C@H]1O[C@@H]2C(=O)C[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C29H30O6/c1-31-29-28(33-19-21-13-7-3-8-14-21)26(32-18-20-11-5-2-6-12-20)27-25(35-29)23(30)17-24(34-27)22-15-9-4-10-16-22/h2-16,24-29H,17-19H2,1H3/t24-,25-,26+,27-,28?,29+/m1/s1
InChIKeyYRMDVCHKHFZIQN-ICHYBAGLSA-N
XLogP4.63
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one with MolForge

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Launch Full Analysis

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
(2R,3R,4R,5S,6S)-2,4,5-trimethoxy-6-methyl-3-phenylmethoxyoxane
CID 11500331
(2R,4aR,6S,7R,8S,8aR)-2-deuterio-6-methoxy-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 50907134
(2R,3S,4S,5R,6S)-2-ethenyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 14216835
(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
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
CID 100978536
(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,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one?
The IUPAC name of (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one (CID 102307924) is (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one.
What is the SMILES notation for (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one?
The canonical SMILES for (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one is CO[C@H]1O[C@@H]2C(=O)C[C@H](c3ccccc3)O[C@H]2[C@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one?
The InChIKey is YRMDVCHKHFZIQN-ICHYBAGLSA-N. The full InChI is InChI=1S/C29H30O6/c1-31-29-28(33-19-21-13-7-3-8-14-21)26(32-18-20-11-5-2-6-12-20)27-25(35-29)23(30)17-24(34-27)22-15-9-4-10-16-22/h2-16,24-29H,17-19H2,1H3/t24-,25-,26+,27-,28?,29+/m1/s1.
What are the key properties of (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one?
(2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one has a molecular weight of 474.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,4aS,6R,8aS)-2-methoxy-6-phenyl-3,4-bis(phenylmethoxy)-3,4,4a,6,7,8a-hexahydro-2H-pyrano[3,2-b]pyran-8-one is sourced from PubChem (CID 102307924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).