(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol

C14H17NO5 — CID 91122601

IUPAC(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol
SMILESO[C@H]1[C@H](O)CO[C@@](O)(Cc2c[nH]c3ccccc23)[C@@H]1O
InChIInChI=1S/C14H17NO5/c16-11-7-20-14(19,13(18)12(11)17)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,11-13,15-19H,5,7H2/t11-,12+,13-,14+/m1/s1
InChIKeyHMLSLJUUAUCSRK-RQJABVFESA-N
MW279.29 g/mol
LogP-0.49
Rot. Bonds2

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

(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol (PubChem CID 91122601) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol
PubChem CID91122601
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol
SMILESO[C@H]1[C@H](O)CO[C@@](O)(Cc2c[nH]c3ccccc23)[C@@H]1O
InChIInChI=1S/C14H17NO5/c16-11-7-20-14(19,13(18)12(11)17)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,11-13,15-19H,5,7H2/t11-,12+,13-,14+/m1/s1
InChIKeyHMLSLJUUAUCSRK-RQJABVFESA-N
XLogP-0.49
TPSA105.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[[(3S,4R,5R)-3,4,5-trihydroxy-2-(hydroxymethyl)oxan-2-yl]amino]propanoic acid
CID 162746379
3-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-1H-indole
CID 57218334
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
[(2S,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl] 2-(1H-indol-3-yl)acetate
CID 18335849
1H-indol-3-ylmethylphosphane;hydrochloride
CID 173452856
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
CID 45357378
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
(2S,3S,4S,5R)-2-[(dibenzylamino)methyl]oxane-2,3,4,5-tetrol
CID 139067709
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol (CID 91122601) is (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol is O[C@H]1[C@H](O)CO[C@@](O)(Cc2c[nH]c3ccccc23)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol?
The InChIKey is HMLSLJUUAUCSRK-RQJABVFESA-N. The full InChI is InChI=1S/C14H17NO5/c16-11-7-20-14(19,13(18)12(11)17)5-8-6-15-10-4-2-1-3-9(8)10/h1-4,6,11-13,15-19H,5,7H2/t11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol has a molecular weight of 279.29 g/mol, XLogP of -0.49, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-(1H-indol-3-ylmethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 91122601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).