(2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C10H18O7 — CID 163678187

IUPAC(2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=C[C@H](O)CO[C@@H]1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H18O7/c1-2-5(12)4-16-10-9(15)8(14)7(13)6(3-11)17-10/h2,5-15H,1,3-4H2/t5-,6?,7?,8?,9?,10+/m0/s1
InChIKeyJIMWXFWXOSWLSG-ITSPCKDYSA-N
MW250.25 g/mol
LogP-2.65
Rot. Bonds5

About (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 163678187) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID163678187
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name(2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESC=C[C@H](O)CO[C@@H]1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C10H18O7/c1-2-5(12)4-16-10-9(15)8(14)7(13)6(3-11)17-10/h2,5-15H,1,3-4H2/t5-,6?,7?,8?,9?,10+/m0/s1
InChIKeyJIMWXFWXOSWLSG-ITSPCKDYSA-N
XLogP-2.65
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(2S,3S,4R,5S,6R)-2-(hydroxymethyl)-6-prop-2-enoxyoxane-3,4,5-triol
CID 23250805
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(2R,3R,4R)-2-(hydroxymethyl)-5-prop-2-enoxyoxolane-3,4-diol
CID 66709788
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
CID 123699386
3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanal
CID 54367448
(2S,3R,4S,5S)-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 158355738
6-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
CID 160747634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 163678187) is (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is C=C[C@H](O)CO[C@@H]1OC(CO)C(O)C(O)C1O.
What is the InChIKey of (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is JIMWXFWXOSWLSG-ITSPCKDYSA-N. The full InChI is InChI=1S/C10H18O7/c1-2-5(12)4-16-10-9(15)8(14)7(13)6(3-11)17-10/h2,5-15H,1,3-4H2/t5-,6?,7?,8?,9?,10+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 250.25 g/mol, XLogP of -2.65, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-hydroxybut-3-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 163678187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).