(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol

C13H17NO6 — CID 69217007

IUPAC(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.Oc1c[nH]c2ccccc12
InChIInChI=1S/C8H7NO.C5H10O5/c10-8-5-9-7-4-2-1-3-6(7)8;6-1-2-3(7)4(8)5(9)10-2/h1-5,9-10H;2-9H,1H2/t;2-,3-,4-,5-/m.1/s1
InChIKeyKTPWDOKVUDXGFC-CAXHYWHXSA-N
MW283.28 g/mol
LogP-0.71
Rot. Bonds1

About (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol

(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol (PubChem CID 69217007) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol
PubChem CID69217007
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol
SMILESOC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.Oc1c[nH]c2ccccc12
InChIInChI=1S/C8H7NO.C5H10O5/c10-8-5-9-7-4-2-1-3-6(7)8;6-1-2-3(7)4(8)5(9)10-2/h1-5,9-10H;2-9H,1H2/t;2-,3-,4-,5-/m.1/s1
InChIKeyKTPWDOKVUDXGFC-CAXHYWHXSA-N
XLogP-0.71
TPSA126.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[2-(1H-indol-3-yl)acetyl]oxyoxane-2-carboxylic acid
CID 91044078
1,1'-biphenyl;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 158276148
(3aR,5R,6S,7R,7aR)-5-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
CID 122377964
2-hydroxybenzaldehyde;(3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 88523924
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(3R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 67790855
[2-(1H-indol-3-yl)-1-[(3,4,5,6-tetrahydroxyoxan-2-yl)methylsulfanyl]ethylidene]sulfamic acid
CID 162996184
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxyphenoxy)oxane-2,4,5-triol
CID 67748323
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol?
The IUPAC name of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol (CID 69217007) is (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol.
What is the SMILES notation for (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol?
The canonical SMILES for (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol is OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O.Oc1c[nH]c2ccccc12.
What is the InChIKey of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol?
The InChIKey is KTPWDOKVUDXGFC-CAXHYWHXSA-N. The full InChI is InChI=1S/C8H7NO.C5H10O5/c10-8-5-9-7-4-2-1-3-6(7)8;6-1-2-3(7)4(8)5(9)10-2/h1-5,9-10H;2-9H,1H2/t;2-,3-,4-,5-/m.1/s1.
What are the key properties of (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol?
(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol has a molecular weight of 283.28 g/mol, XLogP of -0.71, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol;1H-indol-3-ol is sourced from PubChem (CID 69217007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).