(2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol

C14H16O6 — CID 54446697

IUPAC(2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](Oc2ccc3c(c2)CC=CO3)[C@H](O)[C@H]1O
InChIInChI=1S/C14H16O6/c15-7-11-12(16)13(17)14(20-11)19-9-3-4-10-8(6-9)2-1-5-18-10/h1,3-6,11-17H,2,7H2/t11-,12+,13-,14-/m1/s1
InChIKeyWSACRLHCJIDMTR-XJFOESAGSA-N
MW280.28 g/mol
LogP-0.05
Rot. Bonds3

About (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54446697) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID54446697
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name(2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](Oc2ccc3c(c2)CC=CO3)[C@H](O)[C@H]1O
InChIInChI=1S/C14H16O6/c15-7-11-12(16)13(17)14(20-11)19-9-3-4-10-8(6-9)2-1-5-18-10/h1,3-6,11-17H,2,7H2/t11-,12+,13-,14-/m1/s1
InChIKeyWSACRLHCJIDMTR-XJFOESAGSA-N
XLogP-0.05
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-1-benzofuran-2-one
CID 56681180
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,5R)-2-(hydroxymethyl)-5-(4-hydroxyphenoxy)oxolane-3,4-diol
CID 54430133
2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 2844791
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 2724405
(2R,3R,4R,5R,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 1379856
(2S,3R,4R,5S,6S)-2-(3,4-dimethylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7071601
(2S,3S,4R,5S,6S)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
CID 7099542
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(3-hydroxy-4-pentan-3-ylphenoxy)oxane-3,4,5-triol
CID 23653938
(2S,3R,4R,5R,6R)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7078468
(2S,3S,4R,5S,6S)-2-(3-chlorophenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 7074542

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol (CID 54446697) is (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol is OC[C@H]1O[C@@H](Oc2ccc3c(c2)CC=CO3)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is WSACRLHCJIDMTR-XJFOESAGSA-N. The full InChI is InChI=1S/C14H16O6/c15-7-11-12(16)13(17)14(20-11)19-9-3-4-10-8(6-9)2-1-5-18-10/h1,3-6,11-17H,2,7H2/t11-,12+,13-,14-/m1/s1.
What are the key properties of (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 280.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-2-(4H-chromen-6-yloxy)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54446697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).