2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

C10H20O8 — CID 163532338

IUPAC2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOCC(CO)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H20O8/c1-16-4-5(2-11)17-10-9(15)8(14)7(13)6(3-12)18-10/h5-15H,2-4H2,1H3
InChIKeyDUANEMACMQHHAX-UHFFFAOYSA-N
MW268.26 g/mol
LogP-3.19
Rot. Bonds6

About 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol

2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 163532338) has the molecular formula C10H20O8 and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID163532338
Molecular FormulaC10H20O8
Molecular Weight268.26 g/mol
Exact Mass268.12
IUPAC Name2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCOCC(CO)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H20O8/c1-16-4-5(2-11)17-10-9(15)8(14)7(13)6(3-12)18-10/h5-15H,2-4H2,1H3
InChIKeyDUANEMACMQHHAX-UHFFFAOYSA-N
XLogP-3.19
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 5-3.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

(2S,3R,4S,5S,6R)-2-(1,3-dihydroxypropan-2-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10106330
[3-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate
CID 101277416
[3-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] dihydrogen phosphate
CID 3384528
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxypropoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91851502
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-(1,3-dihydroxypropan-2-yloxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101255054
(3S,4S)-2-(hydroxymethyl)-6-(1-hydroxypropan-2-yloxy)oxane-3,4,5-triol
CID 163764243
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonan-5-yloxyoxane-3,4,5-triol
CID 101379975
(2S,4S,5S)-2-[(3S,4R,6S)-6-[(3S,4R,6S)-4,5-dihydroxy-6-[1-(1-hydroxybutan-2-yloxy)butan-2-yloxy]-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91421721

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol (CID 163532338) is 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol is COCC(CO)OC1OC(CO)C(O)C(O)C1O.
What is the InChIKey of 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is DUANEMACMQHHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O8/c1-16-4-5(2-11)17-10-9(15)8(14)7(13)6(3-12)18-10/h5-15H,2-4H2,1H3.
What are the key properties of 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol?
2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 268.26 g/mol, XLogP of -3.19, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methoxypropan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 163532338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).