(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol

C7H12O6 — CID 67026121

IUPAC(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESCOC1=C(O)[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H12O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-5,8-11H,2H2,1H3/t3-,4-,5+/m1/s1
InChIKeyXULXPTQEEQLNAO-WDCZJNDASA-N
MW192.17 g/mol
LogP-1.53
Rot. Bonds2

About (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol

(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol (PubChem CID 67026121) has the molecular formula C7H12O6 and a molecular weight of 192.17 g/mol. Its IUPAC name is (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol
PubChem CID67026121
Molecular FormulaC7H12O6
Molecular Weight192.17 g/mol
Exact Mass192.06
IUPAC Name(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol
SMILESCOC1=C(O)[C@@H](O)[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H12O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-5,8-11H,2H2,1H3/t3-,4-,5+/m1/s1
InChIKeyXULXPTQEEQLNAO-WDCZJNDASA-N
XLogP-1.53
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-(hydroxymethyl)-5-methoxy-2,3-dihydrofuran-3,4-diol
CID 67684681
(2R,3S,4S)-6-[(2R,3S,4R,5R,6R)-6-decoxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
CID 91799589
(3S)-2-(hydroxymethyl)-6-iodo-4-methoxy-3,4-dihydro-2H-pyran-3,5-diol
CID 163736650
(2R,3S,4S)-2-(hydroxymethyl)-5-methylideneoxolane-3,4-diol
CID 131854316
(2E,3R,4S,5S,6R)-2-ethylidene-6-(hydroxymethyl)oxane-3,4,5-triol
CID 135033372
(2Z,3R,4R,5S)-2-hydroxyimino-5-(hydroxymethyl)oxolane-3,4-diol
CID 137348484
(2R,3S)-4,5-diaminooxy-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 54336462
(4S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one
CID 148905339
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
[(3R)-1-[[(2S,3S,4S)-3,4,5-trihydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-6-yl]sulfonyl]pyrrolidin-3-yl] sulfamate
CID 78673853
(2R,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
CID 24885981
(2R,3R,4R)-6-(hydroxymethyl)-2-[(2R,3S,4R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 140981846

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol?
The IUPAC name of (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol (CID 67026121) is (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol?
The canonical SMILES for (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol is COC1=C(O)[C@@H](O)[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol?
The InChIKey is XULXPTQEEQLNAO-WDCZJNDASA-N. The full InChI is InChI=1S/C7H12O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-5,8-11H,2H2,1H3/t3-,4-,5+/m1/s1.
What are the key properties of (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol?
(2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol has a molecular weight of 192.17 g/mol, XLogP of -1.53, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-pyran-3,4,5-triol is sourced from PubChem (CID 67026121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).