(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol

C10H20O6 — CID 154790998

IUPAC(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCO[C@]1(CO)OC(CO)C(O)C1O
InChIInChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7?,8?,9?,10-/m1/s1
InChIKeyXRGRZXPJJVQDJO-SYZWKDNESA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds6

About (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol

(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol (PubChem CID 154790998) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
PubChem CID154790998
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
SMILESCCCCO[C@]1(CO)OC(CO)C(O)C1O
InChIInChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7?,8?,9?,10-/m1/s1
InChIKeyXRGRZXPJJVQDJO-SYZWKDNESA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4S,5S)-5-butoxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101220690
(3S,4S,5R)-2-ethoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 54008536
(3R,4S,5R,6R)-6-(hydroxymethyl)-2-octoxy-2-octyloxane-3,4,5-triol
CID 22879298
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)-2-propan-2-yloxyoxolane-3,4-diol
CID 124638273
(2R,3R,5R)-2-[[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methoxyoxolan-2-yl]methoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 123188389
[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] dodecanoate
CID 140975930
[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl] decanoate
CID 66838115
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(heptoxymethyl)oxane-3,4,5-triol
CID 175206845
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;1-octoxyoctane
CID 67878139
(2R,3R,4S,5R)-2-ethyl-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 89336790
(2S,3R,4R,5S,6R)-5-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-2-dodecoxy-6-(hydroxymethyl)oxane-3,4-diol
CID 101365215
(3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-(hydroxymethyl)oxolane-2,3,4-triol
CID 91845169

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol (CID 154790998) is (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol is CCCCO[C@]1(CO)OC(CO)C(O)C1O.
What is the InChIKey of (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is XRGRZXPJJVQDJO-SYZWKDNESA-N. The full InChI is InChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7?,8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol?
(2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butoxy-2,5-bis(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 154790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).