(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol

C8H16O5 — CID 163413881

IUPAC(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
SMILESCC(C)O[C@H]1OC[C@H](O)[C@H](O)C1O
InChIInChI=1S/C8H16O5/c1-4(2)13-8-7(11)6(10)5(9)3-12-8/h4-11H,3H2,1-2H3/t5-,6-,7?,8+/m0/s1
InChIKeyCYLQGKQJJUKSRG-MWCQLEGZSA-N
MW192.21 g/mol
LogP-1.15
Rot. Bonds2

About (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol

(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol (PubChem CID 163413881) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
PubChem CID163413881
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol
SMILESCC(C)O[C@H]1OC[C@H](O)[C@H](O)C1O
InChIInChI=1S/C8H16O5/c1-4(2)13-8-7(11)6(10)5(9)3-12-8/h4-11H,3H2,1-2H3/t5-,6-,7?,8+/m0/s1
InChIKeyCYLQGKQJJUKSRG-MWCQLEGZSA-N
XLogP-1.15
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R,4S,5R)-2-pentan-3-yloxyoxane-3,4,5-triol
CID 70508112
(2S,4R,5R)-2-methoxyoxane-3,4,5-triol
CID 24802344
(2R,3S,4S,5R)-2-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-3,4,5-triol
CID 156619040
(2S,3R,4S,5R)-2-(1,3-diaminopropan-2-yloxy)oxane-3,4,5-triol
CID 10799040
(3S,4R,5R,6R)-6-methyl-5-propan-2-yloxyoxane-3,4-diol
CID 100998822
(3R,4S,5R)-2-trimethylsilyloxyoxane-3,4,5-triol
CID 45093703
(2R,3S,4S)-2-methoxyoxolane-3,4-diol
CID 130831872
(2R,3R,4S)-2-methoxyoxolane-3,4-diol
CID 14443636
(2R,3S,5S)-2-ethoxyoxane-3,4,5-triol
CID 163545288
2-ethoxyoxane-3,4,5-triol
CID 22495206
(2S,3R,4R,5S)-2-[2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxypropan-2-yloxy]oxane-3,4,5-triol
CID 90766018
[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl] acetate
CID 149251667

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol?
The IUPAC name of (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol (CID 163413881) is (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol?
The canonical SMILES for (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol is CC(C)O[C@H]1OC[C@H](O)[C@H](O)C1O.
What is the InChIKey of (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol?
The InChIKey is CYLQGKQJJUKSRG-MWCQLEGZSA-N. The full InChI is InChI=1S/C8H16O5/c1-4(2)13-8-7(11)6(10)5(9)3-12-8/h4-11H,3H2,1-2H3/t5-,6-,7?,8+/m0/s1.
What are the key properties of (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol?
(2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-propan-2-yloxyoxane-3,4,5-triol is sourced from PubChem (CID 163413881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).