(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol

C40H46O10 — CID 66555303

IUPAC(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@@H]1C=C[C@H](O[C@@H]2C=C[C@H](O[C@@H]3C=C[C@H](O)[C@@H](COCc4ccccc4)O3)[C@@H](COCc3ccccc3)O2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C40H46O10/c1-42-38-21-18-33(36(49-38)27-44-24-30-13-7-3-8-14-30)47-40-22-19-34(37(50-40)28-45-25-31-15-9-4-10-16-31)46-39-20-17-32(41)35(48-39)26-43-23-29-11-5-2-6-12-29/h2-22,32-41H,23-28H2,1H3/t32-,33-,34-,35+,36+,37+,38-,39-,40-/m0/s1
InChIKeyUVFCJXRHVMSLMW-JBQBJQEDSA-N
MW686.80 g/mol
LogP5.26
Rot. Bonds17

About (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol

(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 66555303) has the molecular formula C40H46O10 and a molecular weight of 686.80 g/mol. Its IUPAC name is (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID66555303
Molecular FormulaC40H46O10
Molecular Weight686.80 g/mol
Exact Mass686.31
IUPAC Name(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
SMILESCO[C@@H]1C=C[C@H](O[C@@H]2C=C[C@H](O[C@@H]3C=C[C@H](O)[C@@H](COCc4ccccc4)O3)[C@@H](COCc3ccccc3)O2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C40H46O10/c1-42-38-21-18-33(36(49-38)27-44-24-30-13-7-3-8-14-30)47-40-22-19-34(37(50-40)28-45-25-31-15-9-4-10-16-31)46-39-20-17-32(41)35(48-39)26-43-23-29-11-5-2-6-12-29/h2-22,32-41H,23-28H2,1H3/t32-,33-,34-,35+,36+,37+,38-,39-,40-/m0/s1
InChIKeyUVFCJXRHVMSLMW-JBQBJQEDSA-N
XLogP5.26
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.80
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol with MolForge

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Related Compounds

(2R,3S,6R)-6-phenoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66554793
(2R,3R,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol
CID 66554617
(2S,3R,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-amine
CID 102159727
(2R,3S,6R)-2-(phenylmethoxymethyl)-6-[[(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methoxy]-3,6-dihydro-2H-pyran-3-ol
CID 101357896
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
(2R,3S,6S)-6-hexoxy-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53255077
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(2R,3S,6S)-2-[[(2R,3S,6S)-3-hydroxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methyl]-6-methoxy-3,6-dihydro-2H-pyran-3-ol
CID 134880338
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
(2R,3S,6S)-6-[(3-chlorophenyl)methoxy]-3-phenylmethoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran
CID 53253826

Frequently Asked Questions

What is the IUPAC name of (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol (CID 66555303) is (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol is CO[C@@H]1C=C[C@H](O[C@@H]2C=C[C@H](O[C@@H]3C=C[C@H](O)[C@@H](COCc4ccccc4)O3)[C@@H](COCc3ccccc3)O2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is UVFCJXRHVMSLMW-JBQBJQEDSA-N. The full InChI is InChI=1S/C40H46O10/c1-42-38-21-18-33(36(49-38)27-44-24-30-13-7-3-8-14-30)47-40-22-19-34(37(50-40)28-45-25-31-15-9-4-10-16-31)46-39-20-17-32(41)35(48-39)26-43-23-29-11-5-2-6-12-29/h2-22,32-41H,23-28H2,1H3/t32-,33-,34-,35+,36+,37+,38-,39-,40-/m0/s1.
What are the key properties of (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol?
(2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 686.80 g/mol, XLogP of 5.26, 17 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,6S)-6-[[(2R,3S,6S)-6-[[(2R,3S,6S)-6-methoxy-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxy]-2-(phenylmethoxymethyl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 66555303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).