(1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol

C12H14N2O4 — CID 7128813

IUPAC(1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)c1cnc2ccccc2n1
InChIInChI=1S/C12H14N2O4/c15-6-10(16)12(18)11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10-12,15-18H,6H2/t10-,11-,12-/m1/s1
InChIKeyJNOHSLKLTQNYAD-IJLUTSLNSA-N
MW250.25 g/mol
LogP-0.62
Rot. Bonds4

About (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol

(1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol (PubChem CID 7128813) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
PubChem CID7128813
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name(1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@H](O)c1cnc2ccccc2n1
InChIInChI=1S/C12H14N2O4/c15-6-10(16)12(18)11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10-12,15-18H,6H2/t10-,11-,12-/m1/s1
InChIKeyJNOHSLKLTQNYAD-IJLUTSLNSA-N
XLogP-0.62
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoxalin-2-ylmethanol
CID 905614
1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol
CID 260008
Quinoxaline, 2-(1,2,3,4-tetrahydroxybutyl)-, hydrate
CID 3056911
(2R,3S)-4-quinoxalin-2-ylbutane-1,2,3-triol
CID 14298611
4-(Quinoxalin-2-yl)butane-1,2,3-triol
CID 14298609
1-(3-Methylquinoxalin-2-yl)ethane-1,2-diol
CID 14338460
2-(Quinoxalin-2-yl)ethan-1-ol
CID 14338462
3-(Quinoxalin-2-yl)propan-1-ol
CID 22419324
2,3-Bis-oxymethylquinoxaline
CID 57297341
1-(7-Fluoroquinoxalin-2-yl)ethene-1,2-diol
CID 174641483
2-(Oxiran-2-yl)quinoxaline
CID 300022
2,2-Dimethyl-1-quinoxalin-2-ylpropan-1-ol
CID 11298891

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol?
The IUPAC name of (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol (CID 7128813) is (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol.
What is the SMILES notation for (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol?
The canonical SMILES for (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@H](O)c1cnc2ccccc2n1.
What is the InChIKey of (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol?
The InChIKey is JNOHSLKLTQNYAD-IJLUTSLNSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-6-10(16)12(18)11(17)9-5-13-7-3-1-2-4-8(7)14-9/h1-5,10-12,15-18H,6H2/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol?
(1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol has a molecular weight of 250.25 g/mol, XLogP of -0.62, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-1-quinoxalin-2-ylbutane-1,2,3,4-tetrol is sourced from PubChem (CID 7128813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).