(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C26H40O16 — CID 57381344

IUPAC(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H40O16/c1-36-26-23(37-10-11-5-3-2-4-6-11)21(16(32)14(9-29)39-26)41-25-19(35)22(20(40-25)12(30)7-27)42-24-18(34)17(33)15(31)13(8-28)38-24/h2-6,12-35H,7-10H2,1H3/t12-,13-,14-,15+,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1
InChIKeyMFVLNXZEJGYTTF-LBYJJQRUSA-N
MW608.59 g/mol
LogP-4.69
Rot. Bonds12

About (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 57381344) has the molecular formula C26H40O16 and a molecular weight of 608.59 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID57381344
Molecular FormulaC26H40O16
Molecular Weight608.59 g/mol
Exact Mass608.23
IUPAC Name(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1OCc1ccccc1
InChIInChI=1S/C26H40O16/c1-36-26-23(37-10-11-5-3-2-4-6-11)21(16(32)14(9-29)39-26)41-25-19(35)22(20(40-25)12(30)7-27)42-24-18(34)17(33)15(31)13(8-28)38-24/h2-6,12-35H,7-10H2,1H3/t12-,13-,14-,15+,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1
InChIKeyMFVLNXZEJGYTTF-LBYJJQRUSA-N
XLogP-4.69
TPSA246.68 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500608.59
LogP ≤ 5-4.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Analyze (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 563648
(1R)-1-[(2S,3S,4R,5R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]ethane-1,2-diol
CID 22215147
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-methoxy-4,5-bis(phenylmethoxy)oxan-3-ol
CID 102185522
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-phenylmethoxyoxane-3,5-diol
CID 10379133
(2R,4S,5R)-2-[(3S,4R,6S)-4-[(2S,3S,5S)-5-[(1R)-1,2-dihydroxyethyl]-4-[(2R,4R,5S)-4-[(2S,3S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-[(2R,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 157456974
2-(hydroxymethyl)-6-methoxy-4-[[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]oxane-3,5-diol
CID 134832557
(2S,3R,4R,5R)-5-(hydroxymethyl)-2-methoxy-4-phenylmethoxyoxolan-3-ol
CID 10800923
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2S,3S,4S,5R,6R)-4-[(2R,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
CID 11466233
(2S,3S,4S,5S,6R)-6-[(2R,3R,4R,5R,6S)-5-hydroxy-6-(hydroxymethyl)-3,4-bis(phenylmethoxy)oxan-2-yl]oxy-2-(hydroxymethyl)-4,5-bis(phenylmethoxy)oxan-3-ol
CID 99694818
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-2-(hydroxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-4-yl]oxy-3,5-bis(phenylmethoxy)oxan-4-ol
CID 163077178

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 57381344) is (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](O)CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is MFVLNXZEJGYTTF-LBYJJQRUSA-N. The full InChI is InChI=1S/C26H40O16/c1-36-26-23(37-10-11-5-3-2-4-6-11)21(16(32)14(9-29)39-26)41-25-19(35)22(20(40-25)12(30)7-27)42-24-18(34)17(33)15(31)13(8-28)38-24/h2-6,12-35H,7-10H2,1H3/t12-,13-,14-,15+,16-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 608.59 g/mol, XLogP of -4.69, 12 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-2-[(2S,3R,4R,5S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-5-[(2R,3R,4S,5R,6S)-3-hydroxy-2-(hydroxymethyl)-6-methoxy-5-phenylmethoxyoxan-4-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 57381344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).