[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate

C11H19NO6 — CID 118894761

IUPAC[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(O)[C@@H](OC(C)=O)[C@@H](OC(N)=O)[C@@H]1C
InChIInChI=1S/C11H19NO6/c1-4-7-5(2)8(18-11(12)15)9(10(14)17-7)16-6(3)13/h5,7-10,14H,4H2,1-3H3,(H2,12,15)/t5-,7-,8+,9+,10?/m1/s1
InChIKeyRUEBLMXVOHRPEJ-GMPFDGBRSA-N
MW261.27 g/mol
LogP0.15
Rot. Bonds3

About [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate

[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate (PubChem CID 118894761) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
PubChem CID118894761
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(O)[C@@H](OC(C)=O)[C@@H](OC(N)=O)[C@@H]1C
InChIInChI=1S/C11H19NO6/c1-4-7-5(2)8(18-11(12)15)9(10(14)17-7)16-6(3)13/h5,7-10,14H,4H2,1-3H3,(H2,12,15)/t5-,7-,8+,9+,10?/m1/s1
InChIKeyRUEBLMXVOHRPEJ-GMPFDGBRSA-N
XLogP0.15
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4S,5R,6R)-2-acetyloxy-4-carbamoyloxy-6-ethyl-5-methyloxan-3-yl] acetate
CID 67967713
[(2R,3S,4S,5S)-5-acetyloxy-2-ethyl-3,6-dimethyloxan-4-yl] acetate
CID 121295685
[(3S,4S,5R,6R)-3-acetyloxy-5-carbamoyloxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 118887942
[(3S,4R,5R,6R)-6-ethyl-2-hydroxy-5-methyl-4-phenylmethoxyoxan-3-yl] acetate
CID 118885722
[(3R,4S,5S,6R)-3-acetyloxy-2-bromo-6-ethyl-5-methyloxan-4-yl] acetate
CID 157456207
(2-amino-6-ethyl-4,5-dimethyloxan-3-yl) acetate
CID 158170533
[(5S)-3,4,5-triacetyloxy-6-(3,4-diacetyloxy-6-ethyl-5-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate
CID 148638377
[(2R,4S,5S)-6-ethyl-4,5-dimethyl-2-sulfanyloxan-3-yl] acetate
CID 158354110
[(3S,5S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 118895544
[(3R,4S,6R)-3,4,5-triacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 90927785
[(3S,4S,6S)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 91104690
[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 71486314

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate?
The IUPAC name of [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate (CID 118894761) is [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate is CC[C@H]1OC(O)[C@@H](OC(C)=O)[C@@H](OC(N)=O)[C@@H]1C.
What is the InChIKey of [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate?
The InChIKey is RUEBLMXVOHRPEJ-GMPFDGBRSA-N. The full InChI is InChI=1S/C11H19NO6/c1-4-7-5(2)8(18-11(12)15)9(10(14)17-7)16-6(3)13/h5,7-10,14H,4H2,1-3H3,(H2,12,15)/t5-,7-,8+,9+,10?/m1/s1.
What are the key properties of [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate?
[(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate has a molecular weight of 261.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R,6R)-4-carbamoyloxy-6-ethyl-2-hydroxy-5-methyloxan-3-yl] acetate is sourced from PubChem (CID 118894761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).