5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

C11H20N2O8 — CID 58860466

IUPAC5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCC(=O)NC1C(O)CC(O)(C(=O)O)OC1[C@H](O)[C@H](O)CN
InChIInChI=1S/C11H20N2O8/c1-4(14)13-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-12/h5-9,15-17,20H,2-3,12H2,1H3,(H,13,14)(H,18,19)/t5?,6-,7?,8-,9?,11?/m1/s1
InChIKeyPSFLJKJWZHEYMD-NTZLIZPOSA-N
MW308.29 g/mol
LogP-3.91
Rot. Bonds5

About 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid

5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (PubChem CID 58860466) has the molecular formula C11H20N2O8 and a molecular weight of 308.29 g/mol. Its IUPAC name is 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
PubChem CID58860466
Molecular FormulaC11H20N2O8
Molecular Weight308.29 g/mol
Exact Mass308.12
IUPAC Name5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
SMILESCC(=O)NC1C(O)CC(O)(C(=O)O)OC1[C@H](O)[C@H](O)CN
InChIInChI=1S/C11H20N2O8/c1-4(14)13-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-12/h5-9,15-17,20H,2-3,12H2,1H3,(H,13,14)(H,18,19)/t5?,6-,7?,8-,9?,11?/m1/s1
InChIKeyPSFLJKJWZHEYMD-NTZLIZPOSA-N
XLogP-3.91
TPSA182.57 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.29
LogP ≤ 5-3.91
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,5R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
CID 102004932
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl](313C)oxane-2-carboxylic acid
CID 102405722
(5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 122374560
(2S,4R,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 42553514
(2S,4S,5R,6R)-5-(acetyl(15N)amino)-2,4-dihydroxy-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
CID 169432696
(4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid;gold
CID 174845928
(2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid;hydrate
CID 68765363
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
(2S,4R,5R)-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-5-[(2-chloroacetyl)amino]-2,4-dihydroxyoxane-2-carboxylic acid
CID 91419729
(2R,4S,5R,6R)-5-acetamido-6-[(1S,2R)-1,2-dihydroxy-3-phosphonooxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid
CID 165361793

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The IUPAC name of 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid (CID 58860466) is 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The canonical SMILES for 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid is CC(=O)NC1C(O)CC(O)(C(=O)O)OC1[C@H](O)[C@H](O)CN.
What is the InChIKey of 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
The InChIKey is PSFLJKJWZHEYMD-NTZLIZPOSA-N. The full InChI is InChI=1S/C11H20N2O8/c1-4(14)13-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-12/h5-9,15-17,20H,2-3,12H2,1H3,(H,13,14)(H,18,19)/t5?,6-,7?,8-,9?,11?/m1/s1.
What are the key properties of 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid?
5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid has a molecular weight of 308.29 g/mol, XLogP of -3.91, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-6-[(1R,2R)-3-amino-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 58860466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).