(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol

C12H18O8 — CID 18652372

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol
SMILESOCc1occc1COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H18O8/c13-3-7-6(1-2-18-7)5-19-12-11(17)10(16)9(15)8(4-14)20-12/h1-2,8-17H,3-5H2/t8-,9-,10+,11-,12?/m1/s1
InChIKeyKAVPAVADOOCVEA-OZRWLHRGSA-N
MW290.27 g/mol
LogP-1.91
Rot. Bonds5

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol (PubChem CID 18652372) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol
PubChem CID18652372
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol
SMILESOCc1occc1COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H18O8/c13-3-7-6(1-2-18-7)5-19-12-11(17)10(16)9(15)8(4-14)20-12/h1-2,8-17H,3-5H2/t8-,9-,10+,11-,12?/m1/s1
InChIKeyKAVPAVADOOCVEA-OZRWLHRGSA-N
XLogP-1.91
TPSA132.75 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-1.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(4-hydroxyphenyl)methoxy]oxane-3,4,5-triol
CID 102329612
(3S,5S,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 45038278
(2S,3R,4R,5R,6R)-2-(hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol
CID 102431247
(2S,3S,4S)-2-(hydroxymethyl)-5-phenylmethoxyoxolane-3,4-diol
CID 54063014
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(5-hydroxy-2-pyridinyl)methoxy]oxane-3,4,5-triol
CID 102593926
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[[3-(phenylmethoxymethyl)-5-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]phenyl]methoxy]oxane-3,4,5-triol
CID 102068966
(2S,3R,4S,5S,6R)-2-(hydroxymethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 174826658
(3R,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 18602519
(2S,3S,4S,5S,6R)-2-(2-hydroxyethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 137348722
(2R,3R,4S,5R,6R)-2-ethoxy-6-(hydroxymethyl)oxane-3,4,5-triol;phenol
CID 174963793
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(pyridin-3-ylmethoxy)oxane-3,4,5-triol
CID 101108069
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxy]oxane-3,4,5-triol
CID 91598575

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol (CID 18652372) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol is OCc1occc1COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is KAVPAVADOOCVEA-OZRWLHRGSA-N. The full InChI is InChI=1S/C12H18O8/c13-3-7-6(1-2-18-7)5-19-12-11(17)10(16)9(15)8(4-14)20-12/h1-2,8-17H,3-5H2/t8-,9-,10+,11-,12?/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 290.27 g/mol, XLogP of -1.91, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[[2-(hydroxymethyl)furan-3-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 18652372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).