(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol

C11H22O6 — CID 121222434

IUPAC(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol
SMILESCO[C@@H]1[C@@H](OC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C11H22O6/c1-6(2)16-11-10(15-4)9(14-3)8(13)7(5-12)17-11/h6-13H,5H2,1-4H3/t7-,8-,9+,10+,11+/m1/s1
InChIKeyBMPHUFJNNCGAAW-UVOCVTCTSA-N
MW250.29 g/mol
LogP-0.48
Rot. Bonds5

About (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol

(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol (PubChem CID 121222434) has the molecular formula C11H22O6 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol
PubChem CID121222434
Molecular FormulaC11H22O6
Molecular Weight250.29 g/mol
Exact Mass250.14
IUPAC Name(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol
SMILESCO[C@@H]1[C@@H](OC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OC
InChIInChI=1S/C11H22O6/c1-6(2)16-11-10(15-4)9(14-3)8(13)7(5-12)17-11/h6-13H,5H2,1-4H3/t7-,8-,9+,10+,11+/m1/s1
InChIKeyBMPHUFJNNCGAAW-UVOCVTCTSA-N
XLogP-0.48
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol with MolForge

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Related Compounds

(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
6-(hydroxymethyl)-2,4,5-tri(propan-2-yloxy)oxan-3-ol
CID 159693212
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxy-5-sulfanyloxane-3,4-diol
CID 18711285
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxy-4-sulfanyloxane-3,5-diol
CID 20638905
(2S,3S,4R,5R,6R)-6-(hydroxymethyl)-3,4-dimethoxyoxane-2,5-diol
CID 54319991
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-5,6-dimethoxyoxane-3,4-diol
CID 11117256
(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 54407177
(3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-trimethoxyoxan-3-ol
CID 11608251

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol?
The IUPAC name of (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol (CID 121222434) is (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol?
The canonical SMILES for (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol is CO[C@@H]1[C@@H](OC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1OC.
What is the InChIKey of (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol?
The InChIKey is BMPHUFJNNCGAAW-UVOCVTCTSA-N. The full InChI is InChI=1S/C11H22O6/c1-6(2)16-11-10(15-4)9(14-3)8(13)7(5-12)17-11/h6-13H,5H2,1-4H3/t7-,8-,9+,10+,11+/m1/s1.
What are the key properties of (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol?
(2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol has a molecular weight of 250.29 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S,6S)-2-(hydroxymethyl)-4,5-dimethoxy-6-propan-2-yloxyoxan-3-ol is sourced from PubChem (CID 121222434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).