(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol

C15H19NO6 — CID 101225174

IUPAC(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol
SMILESCOn1cc(C[C@@]2(O)OC[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21
InChIInChI=1S/C15H19NO6/c1-21-16-7-9(10-4-2-3-5-11(10)16)6-15(20)14(19)13(18)12(17)8-22-15/h2-5,7,12-14,17-20H,6,8H2,1H3/t12-,13+,14+,15+/m0/s1
InChIKeyJKYGUSBSXUKNKE-GBJTYRQASA-N
MW309.32 g/mol
LogP-0.96
Rot. Bonds3

About (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol

(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol (PubChem CID 101225174) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol
PubChem CID101225174
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol
SMILESCOn1cc(C[C@@]2(O)OC[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21
InChIInChI=1S/C15H19NO6/c1-21-16-7-9(10-4-2-3-5-11(10)16)6-15(20)14(19)13(18)12(17)8-22-15/h2-5,7,12-14,17-20H,6,8H2,1H3/t12-,13+,14+,15+/m0/s1
InChIKeyJKYGUSBSXUKNKE-GBJTYRQASA-N
XLogP-0.96
TPSA104.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol (CID 101225174) is (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol is COn1cc(C[C@@]2(O)OC[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21.
What is the InChIKey of (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol?
The InChIKey is JKYGUSBSXUKNKE-GBJTYRQASA-N. The full InChI is InChI=1S/C15H19NO6/c1-21-16-7-9(10-4-2-3-5-11(10)16)6-15(20)14(19)13(18)12(17)8-22-15/h2-5,7,12-14,17-20H,6,8H2,1H3/t12-,13+,14+,15+/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol?
(2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol has a molecular weight of 309.32 g/mol, XLogP of -0.96, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-[(1-methoxyindol-3-yl)methyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 101225174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).