(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide

C11H21NO5 — CID 160616233

IUPAC(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide
SMILESCC[C@H]1OC(OC(C)C)[C@H](C(N)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H21NO5/c1-4-6-8(13)9(14)7(10(12)15)11(17-6)16-5(2)3/h5-9,11,13-14H,4H2,1-3H3,(H2,12,15)/t6-,7+,8+,9-,11?/m1/s1
InChIKeyYQJTVMHISHSYJN-ITBPQFFZSA-N
MW247.29 g/mol
LogP-0.63
Rot. Bonds4

About (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide

(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide (PubChem CID 160616233) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide.

Molecular Properties

Compound Name(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide
PubChem CID160616233
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide
SMILESCC[C@H]1OC(OC(C)C)[C@H](C(N)=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H21NO5/c1-4-6-8(13)9(14)7(10(12)15)11(17-6)16-5(2)3/h5-9,11,13-14H,4H2,1-3H3,(H2,12,15)/t6-,7+,8+,9-,11?/m1/s1
InChIKeyYQJTVMHISHSYJN-ITBPQFFZSA-N
XLogP-0.63
TPSA102.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-ethyl-6-propan-2-yloxane-3,4,5-triol
CID 71288921
(3S,5S,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 59515148
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 54363528
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 57310038
(3S,4S,5S)-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4,5-triol
CID 58132951
(3S,4R,6R)-5-amino-2-(hydroxymethyl)-6-propan-2-yloxyoxane-3,4-diol
CID 140856132
[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-propan-2-yloxyoxan-2-yl]methyl hexadecanoate
CID 18650132
(3S,4R,6R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 122599315
(2R,4R,5R)-2-ethyl-3,4,5-trimethyl-6-propan-2-yloxyoxane
CID 58794899
[(3S,6S)-6-[(2R,5S)-6-(acetyloxymethyl)-4,5-dihydroxy-2-propan-2-yloxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
CID 174148563
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7573802
N-[(2S,3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-propan-2-yloxyoxan-3-yl]acetamide
CID 7659071

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide?
The IUPAC name of (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide (CID 160616233) is (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide.
What is the SMILES notation for (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide?
The canonical SMILES for (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide is CC[C@H]1OC(OC(C)C)[C@H](C(N)=O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide?
The InChIKey is YQJTVMHISHSYJN-ITBPQFFZSA-N. The full InChI is InChI=1S/C11H21NO5/c1-4-6-8(13)9(14)7(10(12)15)11(17-6)16-5(2)3/h5-9,11,13-14H,4H2,1-3H3,(H2,12,15)/t6-,7+,8+,9-,11?/m1/s1.
What are the key properties of (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide?
(3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide has a molecular weight of 247.29 g/mol, XLogP of -0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,6R)-6-ethyl-4,5-dihydroxy-2-propan-2-yloxyoxane-3-carboxamide is sourced from PubChem (CID 160616233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).