(2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C25H33NO7 — CID 11294111

IUPAC(2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1c(Cc2ccc3c(c2)CCC3)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1C1CCOC1
InChIInChI=1S/C25H33NO7/c1-14-19(10-15-5-6-16-3-2-4-17(16)9-15)20(11-26(14)18-7-8-31-13-18)32-25-24(30)23(29)22(28)21(12-27)33-25/h5-6,9,11,18,21-25,27-30H,2-4,7-8,10,12-13H2,1H3/t18?,21-,22-,23+,24-,25-/m1/s1
InChIKeyOMMQZNHQHHDAFJ-IRVHACHESA-N
MW459.54 g/mol
LogP1.02
Rot. Bonds6

About (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 11294111) has the molecular formula C25H33NO7 and a molecular weight of 459.54 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID11294111
Molecular FormulaC25H33NO7
Molecular Weight459.54 g/mol
Exact Mass459.23
IUPAC Name(2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCc1c(Cc2ccc3c(c2)CCC3)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1C1CCOC1
InChIInChI=1S/C25H33NO7/c1-14-19(10-15-5-6-16-3-2-4-17(16)9-15)20(11-26(14)18-7-8-31-13-18)32-25-24(30)23(29)22(28)21(12-27)33-25/h5-6,9,11,18,21-25,27-30H,2-4,7-8,10,12-13H2,1H3/t18?,21-,22-,23+,24-,25-/m1/s1
InChIKeyOMMQZNHQHHDAFJ-IRVHACHESA-N
XLogP1.02
TPSA113.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-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

[(2R,3S,4S,5R,6S)-6-[4-[(4-ethylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl methyl carbonate
CID 11341115
[(2R,3S,4S,5R,6S)-6-[4-[(4-ethylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl octyl carbonate
CID 11433416
(3R,5S,6R)-2-[4-[(4-cyclopropylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71029815
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[5-methyl-4-[[4-(2-methylprop-1-enyl)phenyl]methyl]-1-(oxolan-3-yl)pyrazol-3-yl]oxyoxane-3,4,5-triol
CID 11442890
ethyl [(2R,3S,4S,5R,6S)-6-[4-[(4-ethylphenyl)methyl]-5-methyl-1-(oxolan-3-yl)pyrazol-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl carbonate
CID 59713376
(2S,3R,4S,5S,6R)-2-[2-[[3-fluoro-4-[(3R)-oxolan-3-yl]oxyphenyl]methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59711565
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-5-methyl-2-[5-methyl-1-(oxolan-3-yl)-4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]pyrazol-3-yl]oxyoxane-3,4-diol
CID 89274227
(2S,3R,4S,5S,6R)-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-5-methyl-1-propan-2-ylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10297005
(2S,3R,4S,5S,6R)-2-[1-cyclopentyl-4-[(4-ethylphenyl)methyl]-5-(trifluoromethyl)pyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10228778
(2S,3R,4S,5S,6R)-2-[2-[(4-chlorophenyl)methyl]-3-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10222285
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575
2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2-methoxyphenoxy]oxane-3,4,5-triol
CID 69086659

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 11294111) is (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is Cc1c(Cc2ccc3c(c2)CCC3)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cn1C1CCOC1.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is OMMQZNHQHHDAFJ-IRVHACHESA-N. The full InChI is InChI=1S/C25H33NO7/c1-14-19(10-15-5-6-16-3-2-4-17(16)9-15)20(11-26(14)18-7-8-31-13-18)32-25-24(30)23(29)22(28)21(12-27)33-25/h5-6,9,11,18,21-25,27-30H,2-4,7-8,10,12-13H2,1H3/t18?,21-,22-,23+,24-,25-/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 459.54 g/mol, XLogP of 1.02, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-[4-(2,3-dihydro-1H-inden-5-ylmethyl)-5-methyl-1-(oxolan-3-yl)pyrrol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 11294111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).