(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol

C24H29NO6 — CID 11166239

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESCCCc1ccc(Cc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
InChIInChI=1S/C24H29NO6/c1-2-4-14-7-9-15(10-8-14)11-16-12-25-17-5-3-6-18(20(16)17)30-24-23(29)22(28)21(27)19(13-26)31-24/h3,5-10,12,19,21-29H,2,4,11,13H2,1H3/t19-,21-,22+,23-,24-/m1/s1
InChIKeyQHDBLNJCQRQDEV-PFKOEMKTSA-N
MW427.50 g/mol
LogP1.89
Rot. Bonds7

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 11166239) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
PubChem CID11166239
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESCCCc1ccc(Cc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1
InChIInChI=1S/C24H29NO6/c1-2-4-14-7-9-15(10-8-14)11-16-12-25-17-5-3-6-18(20(16)17)30-24-23(29)22(28)21(27)19(13-26)31-24/h3,5-10,12,19,21-29H,2,4,11,13H2,1H3/t19-,21-,22+,23-,24-/m1/s1
InChIKeyQHDBLNJCQRQDEV-PFKOEMKTSA-N
XLogP1.89
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol (CID 11166239) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol is CCCc1ccc(Cc2c[nH]c3cccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c23)cc1.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is QHDBLNJCQRQDEV-PFKOEMKTSA-N. The full InChI is InChI=1S/C24H29NO6/c1-2-4-14-7-9-15(10-8-14)11-16-12-25-17-5-3-6-18(20(16)17)30-24-23(29)22(28)21(27)19(13-26)31-24/h3,5-10,12,19,21-29H,2,4,11,13H2,1H3/t19-,21-,22+,23-,24-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 427.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-[(4-propylphenyl)methyl]-1H-indol-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 11166239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).