(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol

C16H18O7 — CID 67748326

IUPAC(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](Oc2cc3ccccc3cc2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O7/c17-7-12-13(19)14(20)15(16(21)23-12)22-11-6-9-4-2-1-3-8(9)5-10(11)18/h1-6,12-21H,7H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyVCEZPROKFGFKCQ-IBEHDNSVSA-N
MW322.31 g/mol
LogP-0.28
Rot. Bonds3

About (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol (PubChem CID 67748326) has the molecular formula C16H18O7 and a molecular weight of 322.31 g/mol. Its IUPAC name is (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol
PubChem CID67748326
Molecular FormulaC16H18O7
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC Name(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol
SMILESOC[C@H]1O[C@@H](O)[C@H](Oc2cc3ccccc3cc2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H18O7/c17-7-12-13(19)14(20)15(16(21)23-12)22-11-6-9-4-2-1-3-8(9)5-10(11)18/h1-6,12-21H,7H2/t12-,13-,14+,15-,16-/m1/s1
InChIKeyVCEZPROKFGFKCQ-IBEHDNSVSA-N
XLogP-0.28
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 5-0.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-hydroxyphenoxy)oxane-2,4,5-triol
CID 67748323
2-(hydroxymethyl)-6-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 19078670
(2R,3R,4S,5R,6R)-3-anthracen-1-yloxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 87681257
(2R,3R,4S,5R,6R)-3-(2-aminophenoxy)-6-(hydroxymethyl)oxane-2,4,5-triol
CID 67177615
benzene-1,2-diol;(2R,3R,4S,5R)-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 118064590
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxynaphthalen-2-yl)oxyoxan-3-yl]acetamide
CID 118070349
(2S,3S,4S,5S,6R)-6-(hydroxymethyl)-3-(4-phenylphenoxy)oxane-2,4,5-triol
CID 71077860
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3-(2-methoxynaphthalen-1-yl)oxyoxane-2,4,5-triol
CID 67827682
(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;naphthalene
CID 68554455
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-methylphenoxy)oxane-2,4,5-triol
CID 21128476
(2S,3R,4S,5R)-2-(3-hydroxynaphthalen-2-yl)oxyoxane-3,4,5-triol
CID 11173848
(2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;pentaphene
CID 159584072

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol?
The IUPAC name of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol (CID 67748326) is (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol?
The canonical SMILES for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol is OC[C@H]1O[C@@H](O)[C@H](Oc2cc3ccccc3cc2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol?
The InChIKey is VCEZPROKFGFKCQ-IBEHDNSVSA-N. The full InChI is InChI=1S/C16H18O7/c17-7-12-13(19)14(20)15(16(21)23-12)22-11-6-9-4-2-1-3-8(9)5-10(11)18/h1-6,12-21H,7H2/t12-,13-,14+,15-,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol?
(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol has a molecular weight of 322.31 g/mol, XLogP of -0.28, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-(3-hydroxynaphthalen-2-yl)oxyoxane-2,4,5-triol is sourced from PubChem (CID 67748326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).