(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol

C14H18N2O5 — CID 171384807

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol
SMILESCc1ccc2c(c1)ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N2O5/c1-7-2-3-9-8(4-7)15-6-16(9)14-13(20)12(19)11(18)10(5-17)21-14/h2-4,6,10-14,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyYWLOUJJAGYCAQJ-RKQHYHRCSA-N
MW294.31 g/mol
LogP-0.68
Rot. Bonds2

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol (PubChem CID 171384807) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol
PubChem CID171384807
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol
SMILESCc1ccc2c(c1)ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C14H18N2O5/c1-7-2-3-9-8(4-7)15-6-16(9)14-13(20)12(19)11(18)10(5-17)21-14/h2-4,6,10-14,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1
InChIKeyYWLOUJJAGYCAQJ-RKQHYHRCSA-N
XLogP-0.68
TPSA107.97 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol (CID 171384807) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol is Cc1ccc2c(c1)ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol?
The InChIKey is YWLOUJJAGYCAQJ-RKQHYHRCSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-7-2-3-9-8(4-7)15-6-16(9)14-13(20)12(19)11(18)10(5-17)21-14/h2-4,6,10-14,17-20H,5H2,1H3/t10-,11-,12+,13-,14-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol has a molecular weight of 294.31 g/mol, XLogP of -0.68, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(5-methylbenzimidazol-1-yl)oxane-3,4,5-triol is sourced from PubChem (CID 171384807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).