ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate

C10H18O8 — CID 118665846

IUPACethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
SMILESCCOC(=O)[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c1-3-17-10(16)9(18-5(2)12)8(15)7(14)6(13)4-11/h6-9,11,13-15H,3-4H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeyIKYHFBRKWJIGOA-LURQLKTLSA-N
MW266.25 g/mol
LogP-2.44
Rot. Bonds7

About ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate

ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate (PubChem CID 118665846) has the molecular formula C10H18O8 and a molecular weight of 266.25 g/mol. Its IUPAC name is ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate.

Molecular Properties

Compound Nameethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
PubChem CID118665846
Molecular FormulaC10H18O8
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Nameethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate
SMILESCCOC(=O)[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O8/c1-3-17-10(16)9(18-5(2)12)8(15)7(14)6(13)4-11/h6-9,11,13-15H,3-4H2,1-2H3/t6-,7-,8+,9-/m1/s1
InChIKeyIKYHFBRKWJIGOA-LURQLKTLSA-N
XLogP-2.44
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoic acid
CID 25051954
[(2S,3S)-3-methyl-1-[(2S,3S)-3-methyl-1-[(2S,3R)-3-methyl-1-oxo-1-[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] (2S,3S)-2-acetyloxy-3-methylpentanoate
CID 124870815
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-1-(octylamino)-1-oxohexan-2-yl] acetate
CID 100936346
ethyl (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 54186591
diethyl (2R,3R)-2-acetyloxy-3-bromobutanedioate
CID 71299204
2,3-bis[(2-ethoxy-3,4,5,6-tetrahydroxyhexanoyl)oxy]propyl 2-ethoxy-3,4,5,6-tetrahydroxyhexanoate
CID 23018394
ethyl (2R,3R,4R)-2-fluoro-3,4,5-trihydroxypentanoate
CID 131864124
(2-acetyloxy-3-hydroxypropyl) acetate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 87468403
[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
ethyl 2-acetyloxy-3-hydroxypropanoate
CID 88644525

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate?
The IUPAC name of ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate (CID 118665846) is ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate.
What is the SMILES notation for ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate?
The canonical SMILES for ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate is CCOC(=O)[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate?
The InChIKey is IKYHFBRKWJIGOA-LURQLKTLSA-N. The full InChI is InChI=1S/C10H18O8/c1-3-17-10(16)9(18-5(2)12)8(15)7(14)6(13)4-11/h6-9,11,13-15H,3-4H2,1-2H3/t6-,7-,8+,9-/m1/s1.
What are the key properties of ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate?
ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate has a molecular weight of 266.25 g/mol, XLogP of -2.44, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4R,5R)-2-acetyloxy-3,4,5,6-tetrahydroxyhexanoate is sourced from PubChem (CID 118665846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).