5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol

C13H19NO5 — CID 175827969

IUPAC5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCOC1OC(CO)C(O)C(O)C1Nc1ccccc1
InChIInChI=1S/C13H19NO5/c1-18-13-10(14-8-5-3-2-4-6-8)12(17)11(16)9(7-15)19-13/h2-6,9-17H,7H2,1H3
InChIKeyLAFGRHOPFPVVGI-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.45
Rot. Bonds4

About 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol

5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (PubChem CID 175827969) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
PubChem CID175827969
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
SMILESCOC1OC(CO)C(O)C(O)C1Nc1ccccc1
InChIInChI=1S/C13H19NO5/c1-18-13-10(14-8-5-3-2-4-6-8)12(17)11(16)9(7-15)19-13/h2-6,9-17H,7H2,1H3
InChIKeyLAFGRHOPFPVVGI-UHFFFAOYSA-N
XLogP-0.45
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

7-[[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]chromen-2-one
CID 118450127
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol
CID 155546825
N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
CID 54063653
N-[2-[[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]-2-oxoethyl]benzamide
CID 102009264
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]-2-phenylmethoxyacetamide
CID 66559910
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078

Frequently Asked Questions

What is the IUPAC name of 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The IUPAC name of 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol (CID 175827969) is 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol.
What is the SMILES notation for 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The canonical SMILES for 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is COC1OC(CO)C(O)C(O)C1Nc1ccccc1.
What is the InChIKey of 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
The InChIKey is LAFGRHOPFPVVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-18-13-10(14-8-5-3-2-4-6-8)12(17)11(16)9(7-15)19-13/h2-6,9-17H,7H2,1H3.
What are the key properties of 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol?
5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol has a molecular weight of 269.30 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol is sourced from PubChem (CID 175827969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).