(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol

C14H17NO6 — CID 70460334

IUPAC(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)(c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20,21-9)10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-13,15-20H,6H2/t9-,11-,12+,13-,14?/m1/s1
InChIKeyFKTQJLHEXXCCKM-GQYPCLOQSA-N
MW295.29 g/mol
LogP-1.21
Rot. Bonds2

About (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol

(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol (PubChem CID 70460334) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
PubChem CID70460334
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol
SMILESOC[C@H]1OC(O)(c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20,21-9)10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-13,15-20H,6H2/t9-,11-,12+,13-,14?/m1/s1
InChIKeyFKTQJLHEXXCCKM-GQYPCLOQSA-N
XLogP-1.21
TPSA126.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.29
LogP ≤ 5-1.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol (CID 70460334) is (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol is OC[C@H]1OC(O)(c2cc3ccccc3[nH]2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol?
The InChIKey is FKTQJLHEXXCCKM-GQYPCLOQSA-N. The full InChI is InChI=1S/C14H17NO6/c16-6-9-11(17)12(18)13(19)14(20,21-9)10-5-7-3-1-2-4-8(7)15-10/h1-5,9,11-13,15-20H,6H2/t9-,11-,12+,13-,14?/m1/s1.
What are the key properties of (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol?
(3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol has a molecular weight of 295.29 g/mol, XLogP of -1.21, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1H-indol-2-yl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 70460334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).