(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide

C10H16F3NO6 — CID 101008720

IUPAC(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide
SMILESO=C(NCCC(F)(F)F)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H16F3NO6/c11-10(12,13)1-2-14-9(19)8-7(18)6(17)5(16)4(3-15)20-8/h4-8,15-18H,1-3H2,(H,14,19)/t4-,5-,6+,7-,8-/m0/s1
InChIKeyIMOHCRRLWROXME-RLMOJYMMSA-N
MW303.23 g/mol
LogP-2.10
Rot. Bonds4

About (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide

(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide (PubChem CID 101008720) has the molecular formula C10H16F3NO6 and a molecular weight of 303.23 g/mol. Its IUPAC name is (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide
PubChem CID101008720
Molecular FormulaC10H16F3NO6
Molecular Weight303.23 g/mol
Exact Mass303.09
IUPAC Name(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide
SMILESO=C(NCCC(F)(F)F)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H16F3NO6/c11-10(12,13)1-2-14-9(19)8-7(18)6(17)5(16)4(3-15)20-8/h4-8,15-18H,1-3H2,(H,14,19)/t4-,5-,6+,7-,8-/m0/s1
InChIKeyIMOHCRRLWROXME-RLMOJYMMSA-N
XLogP-2.10
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S,5R)-N-butyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 44538844
(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
CID 175420353
(3S,6R)-6-(aminomethyl)-N-butyl-3,4,5-trihydroxyoxane-2-carboxamide
CID 71120958
(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 54053489
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
phenyl-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methanone
CID 146166302
(2R,3R,4S,5R,6R)-N-(3-chloro-4-fluorophenyl)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxamide
CID 46942456
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide
CID 44538125
ethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 59036373
(2S,3S,4S,5R)-N-ethyl-3,4-dihydroxy-5-(hydroxymethyl)-N-methyloxolane-2-carboxamide
CID 44538638

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide?
The IUPAC name of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide (CID 101008720) is (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide?
The canonical SMILES for (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide is O=C(NCCC(F)(F)F)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide?
The InChIKey is IMOHCRRLWROXME-RLMOJYMMSA-N. The full InChI is InChI=1S/C10H16F3NO6/c11-10(12,13)1-2-14-9(19)8-7(18)6(17)5(16)4(3-15)20-8/h4-8,15-18H,1-3H2,(H,14,19)/t4-,5-,6+,7-,8-/m0/s1.
What are the key properties of (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide?
(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of -2.10, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)oxane-2-carboxamide is sourced from PubChem (CID 101008720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).