(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol

C11H15NO6 — CID 101262430

IUPAC(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](/N=C/c2ccco2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO6/c13-5-7-9(14)10(15)8(11(16)18-7)12-4-6-2-1-3-17-6/h1-4,7-11,13-16H,5H2/b12-4+/t7-,8-,9-,10-,11-/m1/s1
InChIKeyKCJNUBGUQPOKJD-SOIHDTQHSA-N
MW257.24 g/mol
LogP-1.50
Rot. Bonds3

About (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol

(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol (PubChem CID 101262430) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol
PubChem CID101262430
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](/N=C/c2ccco2)[C@@H](O)[C@@H]1O
InChIInChI=1S/C11H15NO6/c13-5-7-9(14)10(15)8(11(16)18-7)12-4-6-2-1-3-17-6/h1-4,7-11,13-16H,5H2/b12-4+/t7-,8-,9-,10-,11-/m1/s1
InChIKeyKCJNUBGUQPOKJD-SOIHDTQHSA-N
XLogP-1.50
TPSA115.65 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S,3S,4S,5R,6S)-6-(hydroxymethyl)-3-[(4-hydroxyphenyl)methylideneamino]oxane-2,4,5-triol
CID 932901
(2S,3R,4S,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 11894642
(2R,3S,4R,5S,6S)-3-[[4-(dimethylamino)phenyl]methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 7301827
(2R,3R,4R,5S,6R)-3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-6-(hydroxymethyl)oxane-2,4,5-triol
CID 136715091
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
7-hydroxy-4-methyl-8-[[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]iminomethyl]chromen-2-one
CID 136669458
(2S,3S,5S)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 89313516
(4S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 172641707
(2R,5S)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 135080637
(2R,3S,5R)-3-azido-6-(hydroxymethyl)oxane-2,4,5-triol
CID 130197819
(5E)-5-(furan-2-ylmethylidene)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazolidine-2,4-dione
CID 177486443
2-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-1H-purin-6-one
CID 137035181

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The IUPAC name of (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol (CID 101262430) is (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol is OC[C@H]1O[C@@H](O)[C@H](/N=C/c2ccco2)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
The InChIKey is KCJNUBGUQPOKJD-SOIHDTQHSA-N. The full InChI is InChI=1S/C11H15NO6/c13-5-7-9(14)10(15)8(11(16)18-7)12-4-6-2-1-3-17-6/h1-4,7-11,13-16H,5H2/b12-4+/t7-,8-,9-,10-,11-/m1/s1.
What are the key properties of (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol?
(2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol has a molecular weight of 257.24 g/mol, XLogP of -1.50, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S,6R)-3-(furan-2-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol is sourced from PubChem (CID 101262430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).