[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate

C14H25NO8 — CID 91165515

IUPAC[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate
SMILESCC[C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O1
InChIInChI=1S/C14H25NO8/c1-4-14(21)5-9(18)11(15-7(2)16)13(23-14)12(20)10(19)6-22-8(3)17/h9-13,18-21H,4-6H2,1-3H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1
InChIKeyIGIYYQZSJOHWGM-YHBOFVJASA-N
MW335.35 g/mol
LogP-1.98
Rot. Bonds6

About [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate

[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate (PubChem CID 91165515) has the molecular formula C14H25NO8 and a molecular weight of 335.35 g/mol. Its IUPAC name is [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate.

Molecular Properties

Compound Name[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate
PubChem CID91165515
Molecular FormulaC14H25NO8
Molecular Weight335.35 g/mol
Exact Mass335.16
IUPAC Name[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate
SMILESCC[C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O1
InChIInChI=1S/C14H25NO8/c1-4-14(21)5-9(18)11(15-7(2)16)13(23-14)12(20)10(19)6-22-8(3)17/h9-13,18-21H,4-6H2,1-3H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1
InChIKeyIGIYYQZSJOHWGM-YHBOFVJASA-N
XLogP-1.98
TPSA145.55 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

5-acetamido-6-(3-acetyloxy-1,2-dihydroxypropyl)-2,4-dihydroxyoxane-2-carboxylic acid
CID 3325402
(2S,4S,5R,6R)-5-acetamido-6-[(2R)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 11953823
(5R,6S)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 58545360
N-[(2R,3R,4S,6S)-4,6-dihydroxy-6-[(2-oxoethylamino)methyl]-2-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-3-yl]acetamide
CID 20705967
ethyl 5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 75986680
5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 58860466
acetyl (4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
CID 139533948
ethyl (2S,4S,5R)-5-acetamido-6-[(1R,2S)-1,2-dihydroxy-3-iodopropyl]-2,4-dihydroxyoxane-2-carboxylate
CID 10297433
(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-3-acetyloxy-1,2-dihydroxypropyl]-4-hydroxy-2-[[(2S,3S,4S,5R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methylsulfanyl]oxane-2-carboxylic acid
CID 3009928
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 165361793
(2S,4S,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 18665396
methyl (2S,4R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
CID 71216033

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate?
The IUPAC name of [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate (CID 91165515) is [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate.
What is the SMILES notation for [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate?
The canonical SMILES for [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate is CC[C@]1(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O1.
What is the InChIKey of [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate?
The InChIKey is IGIYYQZSJOHWGM-YHBOFVJASA-N. The full InChI is InChI=1S/C14H25NO8/c1-4-14(21)5-9(18)11(15-7(2)16)13(23-14)12(20)10(19)6-22-8(3)17/h9-13,18-21H,4-6H2,1-3H3,(H,15,16)/t9-,10+,11+,12+,13+,14+/m0/s1.
What are the key properties of [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate?
[(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate has a molecular weight of 335.35 g/mol, XLogP of -1.98, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-[(2R,3R,4S,6R)-3-acetamido-6-ethyl-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropyl] acetate is sourced from PubChem (CID 91165515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).