(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide

C8H17NO6 — CID 138650369

IUPAC(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCNC(=O)C(O)[C@@H](O)[C@H](O)C(O)CO
InChIInChI=1S/C8H17NO6/c1-2-9-8(15)7(14)6(13)5(12)4(11)3-10/h4-7,10-14H,2-3H2,1H3,(H,9,15)/t4?,5-,6+,7?/m1/s1
InChIKeyCEUIEPMYCRNXIZ-LFCOQJFYSA-N
MW223.22 g/mol
LogP-3.44
Rot. Bonds6

About (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide

(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 138650369) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID138650369
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
SMILESCCNC(=O)C(O)[C@@H](O)[C@H](O)C(O)CO
InChIInChI=1S/C8H17NO6/c1-2-9-8(15)7(14)6(13)5(12)4(11)3-10/h4-7,10-14H,2-3H2,1H3,(H,9,15)/t4?,5-,6+,7?/m1/s1
InChIKeyCEUIEPMYCRNXIZ-LFCOQJFYSA-N
XLogP-3.44
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.22
LogP ≤ 5-3.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
(2R,3R,4R)-N-ethyl-2,3,4,5-tetrahydroxypentanamide
CID 91224788
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
(2R,3R,4R,5R,6S)-N-butyl-2,3,4,5,6,7-hexahydroxyheptanamide
CID 124819757
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
2,3,4,5,6-pentahydroxy-N-prop-2-ynylhexanamide
CID 58210245
2,3,4,5,6-pentahydroxy-N-(3-methylbutyl)hexanamide
CID 135157558
2,3,4,5,6-pentahydroxy-N-[2-[methyl-[2-(2,3,4,5,6-pentahydroxyhexanoylamino)ethyl]amino]ethyl]hexanamide
CID 58472211
N-(3-aminopropyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 23193776
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-propanoylhexanamide
CID 18658603
(2S,4S,5R)-N-(4-aminobutyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 89146863

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide (CID 138650369) is (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide is CCNC(=O)C(O)[C@@H](O)[C@H](O)C(O)CO.
What is the InChIKey of (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is CEUIEPMYCRNXIZ-LFCOQJFYSA-N. The full InChI is InChI=1S/C8H17NO6/c1-2-9-8(15)7(14)6(13)5(12)4(11)3-10/h4-7,10-14H,2-3H2,1H3,(H,9,15)/t4?,5-,6+,7?/m1/s1.
What are the key properties of (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide?
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 223.22 g/mol, XLogP of -3.44, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 138650369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).