(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid

C8H15NO7 — CID 5460401

IUPAC(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid
SMILESCC(=O)N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5-,6-,7-/m1/s1
InChIKeyLZKNVSNNPRQZJB-DBRKOABJSA-N
MW237.21 g/mol
LogP-3.35
Rot. Bonds6

About (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid

(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid (PubChem CID 5460401) has the molecular formula C8H15NO7 and a molecular weight of 237.21 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid
PubChem CID5460401
Molecular FormulaC8H15NO7
Molecular Weight237.21 g/mol
Exact Mass237.08
IUPAC Name(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid
SMILESCC(=O)N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5-,6-,7-/m1/s1
InChIKeyLZKNVSNNPRQZJB-DBRKOABJSA-N
XLogP-3.35
TPSA147.32 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.21
LogP ≤ 5-3.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid?
The IUPAC name of (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid (CID 5460401) is (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid.
What is the SMILES notation for (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid?
The canonical SMILES for (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid is CC(=O)N[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid?
The InChIKey is LZKNVSNNPRQZJB-DBRKOABJSA-N. The full InChI is InChI=1S/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,16)/t4-,5-,6-,7-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid?
(2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid has a molecular weight of 237.21 g/mol, XLogP of -3.35, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-acetamido-3,4,5,6-tetrahydroxyhexanoic acid is sourced from PubChem (CID 5460401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).