(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol

C13H17NO7 — CID 91934179

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol
SMILESO=NCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C13H17NO7/c15-6-9-10(16)11(17)12(18)13(21-9)20-8-3-1-7(2-4-8)5-14-19/h1-4,9-13,15-18H,5-6H2/t9-,10-,11-,12-,13-/m1/s1
InChIKeyMJOCVWJPMJBVIQ-SYLRKERUSA-N
MW299.28 g/mol
LogP-0.87
Rot. Bonds5

About (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol (PubChem CID 91934179) has the molecular formula C13H17NO7 and a molecular weight of 299.28 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol
PubChem CID91934179
Molecular FormulaC13H17NO7
Molecular Weight299.28 g/mol
Exact Mass299.10
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol
SMILESO=NCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C13H17NO7/c15-6-9-10(16)11(17)12(18)13(21-9)20-8-3-1-7(2-4-8)5-14-19/h1-4,9-13,15-18H,5-6H2/t9-,10-,11-,12-,13-/m1/s1
InChIKeyMJOCVWJPMJBVIQ-SYLRKERUSA-N
XLogP-0.87
TPSA128.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

2-(hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol;methane
CID 159395031
(3S,6R)-2-(hydroxymethyl)-6-[4-[4-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]phenoxy]oxane-3,4,5-triol
CID 134423364
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-(4-propylphenoxy)oxane-3,4,5-triol
CID 124914124
3-[4-[(2S,3S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid
CID 174028306
(3S,5S,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 90056515
(2R,3S,4R,5S,6R)-2-(hydroxymethyl)-6-(4-methylphenoxy)oxane-3,4,5-triol
CID 26917484
(3S,4R,6S)-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxane-3,4,5-triol
CID 146852325
(2S,3R,4R,5S,6R)-2-(4-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078194
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-(4-iodophenoxy)oxane-3,4,5-triol
CID 54360485
(3R,4S,5S,6R)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 90014619
(2S,3S,4S,5R)-2-(4-aminophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66509217
(2S,4S,5S)-2-(4-fluorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71182083

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol (CID 91934179) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol is O=NCc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol?
The InChIKey is MJOCVWJPMJBVIQ-SYLRKERUSA-N. The full InChI is InChI=1S/C13H17NO7/c15-6-9-10(16)11(17)12(18)13(21-9)20-8-3-1-7(2-4-8)5-14-19/h1-4,9-13,15-18H,5-6H2/t9-,10-,11-,12-,13-/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol has a molecular weight of 299.28 g/mol, XLogP of -0.87, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-(nitrosomethyl)phenoxy]oxane-3,4,5-triol is sourced from PubChem (CID 91934179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).