(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane

C40H48O9 — CID 101261998

IUPAC(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](c2cc(C3C[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)O3)co2)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C40H48O9/c1-41-26-37-39(43-3)35(42-2)21-34(49-37)33-19-31(25-46-33)32-20-36(45-23-29-15-9-5-10-16-29)40(47-24-30-17-11-6-12-18-30)38(48-32)27-44-22-28-13-7-4-8-14-28/h4-19,25,32,34-40H,20-24,26-27H2,1-3H3/t32?,34-,35-,36-,37-,38-,39+,40+/m1/s1
InChIKeyIHIGAIFUZDBHRT-FXEKSBISSA-N
MW672.82 g/mol
LogP7.00
Rot. Bonds16

About (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane

(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane (PubChem CID 101261998) has the molecular formula C40H48O9 and a molecular weight of 672.82 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane
PubChem CID101261998
Molecular FormulaC40H48O9
Molecular Weight672.82 g/mol
Exact Mass672.33
IUPAC Name(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane
SMILESCOC[C@H]1O[C@@H](c2cc(C3C[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)O3)co2)C[C@@H](OC)[C@@H]1OC
InChIInChI=1S/C40H48O9/c1-41-26-37-39(43-3)35(42-2)21-34(49-37)33-19-31(25-46-33)32-20-36(45-23-29-15-9-5-10-16-29)40(47-24-30-17-11-6-12-18-30)38(48-32)27-44-22-28-13-7-4-8-14-28/h4-19,25,32,34-40H,20-24,26-27H2,1-3H3/t32?,34-,35-,36-,37-,38-,39+,40+/m1/s1
InChIKeyIHIGAIFUZDBHRT-FXEKSBISSA-N
XLogP7.00
TPSA86.98 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.82
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane with MolForge

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Related Compounds

(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
1,3-dimethylazulene;(3S)-6-(3-methylphenyl)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 142858239
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682
(2S,3R,4R,5R)-2,3-dimethoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 59796294
(2R,4S,5S,6R)-3-deuterio-2-methoxy-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 10456375
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(2R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carbaldehyde
CID 53483097
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
(2R,3R,4S,5S,6R)-5-methoxy-2,3,4-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 165343769
(2S,3R,4S,5R,6R)-2,4,5-trimethoxy-6-(methoxymethyl)-3-phenylmethoxyoxane
CID 70289541
(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 (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane?
The IUPAC name of (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane (CID 101261998) is (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane?
The canonical SMILES for (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane is COC[C@H]1O[C@@H](c2cc(C3C[C@@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@@H](COCc4ccccc4)O3)co2)C[C@@H](OC)[C@@H]1OC.
What is the InChIKey of (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane?
The InChIKey is IHIGAIFUZDBHRT-FXEKSBISSA-N. The full InChI is InChI=1S/C40H48O9/c1-41-26-37-39(43-3)35(42-2)21-34(49-37)33-19-31(25-46-33)32-20-36(45-23-29-15-9-5-10-16-29)40(47-24-30-17-11-6-12-18-30)38(48-32)27-44-22-28-13-7-4-8-14-28/h4-19,25,32,34-40H,20-24,26-27H2,1-3H3/t32?,34-,35-,36-,37-,38-,39+,40+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane?
(2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane has a molecular weight of 672.82 g/mol, XLogP of 7.00, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-[4-[(4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]furan-2-yl]-3,4-dimethoxy-2-(methoxymethyl)oxane is sourced from PubChem (CID 101261998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).