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

C15H19NO6 — CID 68727951

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol
SMILESCc1[nH]c2ccccc2c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H19NO6/c1-7-14(8-4-2-3-5-9(8)16-7)22-15-13(20)12(19)11(18)10(6-17)21-15/h2-5,10-13,15-20H,6H2,1H3/t10-,11+,12+,13-,15+/m1/s1
InChIKeySCSFXMQKFUYFPS-KDBYPZKRSA-N
MW309.32 g/mol
LogP-0.34
Rot. Bonds3

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

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol (PubChem CID 68727951) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol
PubChem CID68727951
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol
SMILESCc1[nH]c2ccccc2c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C15H19NO6/c1-7-14(8-4-2-3-5-9(8)16-7)22-15-13(20)12(19)11(18)10(6-17)21-15/h2-5,10-13,15-20H,6H2,1H3/t10-,11+,12+,13-,15+/m1/s1
InChIKeySCSFXMQKFUYFPS-KDBYPZKRSA-N
XLogP-0.34
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol (CID 68727951) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol is Cc1[nH]c2ccccc2c1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
The InChIKey is SCSFXMQKFUYFPS-KDBYPZKRSA-N. The full InChI is InChI=1S/C15H19NO6/c1-7-14(8-4-2-3-5-9(8)16-7)22-15-13(20)12(19)11(18)10(6-17)21-15/h2-5,10-13,15-20H,6H2,1H3/t10-,11+,12+,13-,15+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol has a molecular weight of 309.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2-methyl-1H-indol-3-yl)oxy]oxane-3,4,5-triol is sourced from PubChem (CID 68727951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).