(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol

C14H21NO6 — CID 155546825

IUPAC(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol
SMILESCOc1cccc(N[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)c1
InChIInChI=1S/C14H21NO6/c1-19-9-5-3-4-8(6-9)15-11-12(17)10(7-16)21-14(20-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyFUTKMJSUSMJTHL-RKQHYHRCSA-N
MW299.32 g/mol
LogP-0.44
Rot. Bonds5

About (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol

(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol (PubChem CID 155546825) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol
PubChem CID155546825
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol
SMILESCOc1cccc(N[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)c1
InChIInChI=1S/C14H21NO6/c1-19-9-5-3-4-8(6-9)15-11-12(17)10(7-16)21-14(20-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyFUTKMJSUSMJTHL-RKQHYHRCSA-N
XLogP-0.44
TPSA100.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol with MolForge

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Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
7-[[(2S,4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]amino]chromen-2-one
CID 118450127
(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2R,3S,4R,5R,6S)-4-(butylamino)-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 70497751
N-[(2R,3R,4R,5R,6R)-5-benzamido-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]benzamide
CID 54063653
N'-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methoxybenzohydrazide
CID 3116836
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 70179974
(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4-(4-methylanilino)oxane-2,3,5-triol
CID 171124323

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol?
The IUPAC name of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol (CID 155546825) is (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol.
What is the SMILES notation for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol?
The canonical SMILES for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol is COc1cccc(N[C@@H]2[C@@H](O)[C@@H](CO)O[C@@H](OC)[C@@H]2O)c1.
What is the InChIKey of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol?
The InChIKey is FUTKMJSUSMJTHL-RKQHYHRCSA-N. The full InChI is InChI=1S/C14H21NO6/c1-19-9-5-3-4-8(6-9)15-11-12(17)10(7-16)21-14(20-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol?
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol has a molecular weight of 299.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxy-4-(3-methoxyanilino)oxane-3,5-diol is sourced from PubChem (CID 155546825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).