(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol

C12H17NO5 — CID 143582068

IUPAC(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(Nc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9?,10?,11?,12?/m1/s1
InChIKeyLKZGXPMJCWRGTC-AAWJQDODSA-N
MW255.27 g/mol
LogP-1.10
Rot. Bonds3

About (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol

(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 143582068) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID143582068
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOC[C@H]1OC(Nc2ccccc2)C(O)C(O)C1O
InChIInChI=1S/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9?,10?,11?,12?/m1/s1
InChIKeyLKZGXPMJCWRGTC-AAWJQDODSA-N
XLogP-1.10
TPSA102.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Related Compounds

N4-beta-D-Glucosylsulfanilamide
CID 16122563
4-(3,4,5-Trihydroxy-tetrahydro-pyran-2-ylamino)-benzenesulfonamide
CID 292594
4-(3,4,5-Trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-benzenesulfonamide
CID 23424116
(2S,3R,4R,5R)-2-Methyl-6-(4-phenylazo-phenylamino)-tetrahydro-pyran-3,4,5-triol
CID 16410515
(3R,4S)-6-(4-Phenylazo-phenylamino)-tetrahydro-pyran-3,4-diol
CID 16682719
2-(4-ethylbenzyl)-N-(beta-D-glucopyranosyl)aniline
CID 11749117
5-(1,2-Dihydroxyethyl)-2-[(4-chlorophenyl)amino]oxolane-3,4-diol
CID 3894098
4-(3,4,5-Trihydroxy-6-methyl-tetrahydro-pyran-2-ylamino)-benzenesulfonamide
CID 23424154
6-deoxy-N-[4-(phenyldiazenyl)phenyl]-alpha-L-mannopyranosylamine
CID 2849165
4-((2R,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-ylamino)benzenesulfonamide
CID 10267015
4-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-ylamino)benzenesulfonamide
CID 11220854
(2R,3S,4S,5S)-2-Hydroxymethyl-6-(4-phenylazo-phenylamino)-tetrahydro-pyran-3,4,5-triol
CID 16410464

Frequently Asked Questions

What is the IUPAC name of (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol (CID 143582068) is (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol is OC[C@H]1OC(Nc2ccccc2)C(O)C(O)C1O.
What is the InChIKey of (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is LKZGXPMJCWRGTC-AAWJQDODSA-N. The full InChI is InChI=1S/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9?,10?,11?,12?/m1/s1.
What are the key properties of (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol?
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 255.27 g/mol, XLogP of -1.10, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 143582068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).