bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate

C11H18O11 — CID 174841620

IUPACbis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate
SMILESO=C(OC1O[C@H](CO)[C@@H](O)[C@H]1O)OC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H18O11/c12-1-3-5(14)7(16)9(19-3)21-11(18)22-10-8(17)6(15)4(2-13)20-10/h3-10,12-17H,1-2H2/t3-,4-,5-,6-,7-,8-,9?,10?/m1/s1
InChIKeyJWMXBUAQGHMQKZ-KUFNSSOESA-N
MW326.25 g/mol
LogP-3.98
Rot. Bonds4

About bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate

bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate (PubChem CID 174841620) has the molecular formula C11H18O11 and a molecular weight of 326.25 g/mol. Its IUPAC name is bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate.

Molecular Properties

Compound Namebis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate
PubChem CID174841620
Molecular FormulaC11H18O11
Molecular Weight326.25 g/mol
Exact Mass326.08
IUPAC Namebis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate
SMILESO=C(OC1O[C@H](CO)[C@@H](O)[C@H]1O)OC1O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H18O11/c12-1-3-5(14)7(16)9(19-3)21-11(18)22-10-8(17)6(15)4(2-13)20-10/h3-10,12-17H,1-2H2/t3-,4-,5-,6-,7-,8-,9?,10?/m1/s1
InChIKeyJWMXBUAQGHMQKZ-KUFNSSOESA-N
XLogP-3.98
TPSA175.37 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500326.25
LogP ≤ 5-3.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Related Compounds

bis[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] propanedioate
CID 22859874
2-methoxyethyl [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate
CID 70023537
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] acetate
CID 14859665
2,2,2-trichloroethyl [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate
CID 54430474
4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2,3-dihydroxy-4-oxobutanoic acid
CID 175294305
butyl [(3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] carbonate
CID 22857916
(2R,3S,6R)-2-(hydroxymethyl)-6-[(2R,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 118137522
(2S,4R,5R)-2-[(2S,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 118428901
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 162947044
(3R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 71034150
(2S,3S,4R,5R,6R)-2-(hydroxymethyl)-6-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 51579139
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 18652485

Frequently Asked Questions

What is the IUPAC name of bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate?
The IUPAC name of bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate (CID 174841620) is bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate.
What is the SMILES notation for bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate?
The canonical SMILES for bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate is O=C(OC1O[C@H](CO)[C@@H](O)[C@H]1O)OC1O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate?
The InChIKey is JWMXBUAQGHMQKZ-KUFNSSOESA-N. The full InChI is InChI=1S/C11H18O11/c12-1-3-5(14)7(16)9(19-3)21-11(18)22-10-8(17)6(15)4(2-13)20-10/h3-10,12-17H,1-2H2/t3-,4-,5-,6-,7-,8-,9?,10?/m1/s1.
What are the key properties of bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate?
bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate has a molecular weight of 326.25 g/mol, XLogP of -3.98, 4 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] carbonate is sourced from PubChem (CID 174841620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).