(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol

C8H16O6 — CID 20835708

IUPAC(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
SMILESCOC(OC)[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O6/c1-12-8(13-2)6(11)7-5(10)4(9)3-14-7/h4-11H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1
InChIKeyNEVJSDCAIXBUDB-BNHYGAARSA-N
MW208.21 g/mol
LogP-1.91
Rot. Bonds4

About (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol

(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol (PubChem CID 20835708) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
PubChem CID20835708
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
SMILESCOC(OC)[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O6/c1-12-8(13-2)6(11)7-5(10)4(9)3-14-7/h4-11H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1
InChIKeyNEVJSDCAIXBUDB-BNHYGAARSA-N
XLogP-1.91
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol
CID 162949873
2-(2,2-dihydroxy-1-methoxyethyl)oxolane-3,4-diol
CID 21353691
(2S,3S,4R)-2-[1,2-dihydroxy-2-[(2S,3S,4R)-3,4,5-trihydroxyoxan-2-yl]ethyl]oxane-3,4,5-triol
CID 57168192
(2S,3R,4S)-2-[(1R)-1-hydroxyethyl]oxolane-3,4-diol
CID 18667402
(2S,3R,4S,5R,6R)-2-[(3R,4S)-4-hydroxy-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 50990442
(2S,3S,4R)-2-[(1R)-2,2-bis(ethylsulfanyl)-1-hydroxyethyl]oxolane-3,4-diol
CID 100996895
(2S,3R,4R,5S)-2-[chloro(hydroxy)methyl]oxane-3,4,5-triol
CID 54301911
(2S,3S,4S)-2-[(1S)-1,2-dihydroxyethyl]oxolane-3,4-diol
CID 11073753
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
2-(1-hydroxybutyl)oxolane-3,4-diol
CID 123496613
ethyl (2R)-2-[(2S,3S,4R)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate
CID 10856641
(2S,3S,4S)-2-[hydroxy(phosphorosooxy)methyl]oxolane-3,4-diol
CID 91425120

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol (CID 20835708) is (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol is COC(OC)[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol?
The InChIKey is NEVJSDCAIXBUDB-BNHYGAARSA-N. The full InChI is InChI=1S/C8H16O6/c1-12-8(13-2)6(11)7-5(10)4(9)3-14-7/h4-11H,3H2,1-2H3/t4-,5+,6-,7+/m0/s1.
What are the key properties of (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol?
(2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol has a molecular weight of 208.21 g/mol, XLogP of -1.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-[(1S)-1-hydroxy-2,2-dimethoxyethyl]oxolane-3,4-diol is sourced from PubChem (CID 20835708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).