(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol

C9H18O4 — CID 130359987

IUPAC(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
SMILESCO[C@@H]1CO[C@@H](C(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H18O4/c1-5(2)9-8(11)7(10)6(12-3)4-13-9/h5-11H,4H2,1-3H3/t6-,7+,8+,9+/m1/s1
InChIKeyGUTXQIFKKZYBMM-XGEHTFHBSA-N
MW190.24 g/mol
LogP-0.22
Rot. Bonds2

About (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol

(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol (PubChem CID 130359987) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
PubChem CID130359987
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
SMILESCO[C@@H]1CO[C@@H](C(C)C)[C@@H](O)[C@H]1O
InChIInChI=1S/C9H18O4/c1-5(2)9-8(11)7(10)6(12-3)4-13-9/h5-11H,4H2,1-3H3/t6-,7+,8+,9+/m1/s1
InChIKeyGUTXQIFKKZYBMM-XGEHTFHBSA-N
XLogP-0.22
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxyoxane-2,3,4-triol
CID 560177
CID 89141546
CID 89141546
(2S,3S,4S,5S,6R)-2,6-dimethoxyoxepane-3,4,5-triol
CID 58510378
(2R,3R,4S,5S)-3,5-dimethoxyoxane-2,4-diol
CID 14564498
(2R,3R,4S,5S)-4-methyl-2-propan-2-yloxane-3,5-diol
CID 89491478
4-methyl-2-propan-2-yloxane-3,5-diol
CID 76796357
3-methoxy-6-propan-2-yloxane-2,4,5-triol
CID 170198927
5-methyl-6-propan-2-yloxane-3,4-diol
CID 118603929
[(2S,3R,4S)-2-[(1R)-1-acetyloxyethyl]-4-methoxyoxolan-3-yl] acetate
CID 6428079
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol
CID 156697359

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol?
The IUPAC name of (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol (CID 130359987) is (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol?
The canonical SMILES for (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol is CO[C@@H]1CO[C@@H](C(C)C)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol?
The InChIKey is GUTXQIFKKZYBMM-XGEHTFHBSA-N. The full InChI is InChI=1S/C9H18O4/c1-5(2)9-8(11)7(10)6(12-3)4-13-9/h5-11H,4H2,1-3H3/t6-,7+,8+,9+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol?
(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol has a molecular weight of 190.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 130359987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).