[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate

C8H17NO6 — CID 175926950

IUPAC[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)CN
InChIInChI=1S/C8H17NO6/c1-4(10)7(13)8(14)5(11)3-15-6(12)2-9/h4-5,7-8,10-11,13-14H,2-3,9H2,1H3/t4-,5-,7-,8-/m0/s1
InChIKeyZEWLAJUGMAODJD-XVCLALHZSA-N
MW223.22 g/mol
LogP-3.05
Rot. Bonds6

About [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate

[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate (PubChem CID 175926950) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate.

Molecular Properties

Compound Name[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate
PubChem CID175926950
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Name[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate
SMILESC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)CN
InChIInChI=1S/C8H17NO6/c1-4(10)7(13)8(14)5(11)3-15-6(12)2-9/h4-5,7-8,10-11,13-14H,2-3,9H2,1H3/t4-,5-,7-,8-/m0/s1
InChIKeyZEWLAJUGMAODJD-XVCLALHZSA-N
XLogP-3.05
TPSA133.24 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-3.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-2-hydroxy-3-methylbutyl] 2-aminoacetate
CID 168824974
[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl] 3-hydroxybutanoate
CID 166926018
ethenyl 2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-heptadecahydroxynonadecyl carbonate
CID 89096209
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
(2S,3S,4S,5S)-1-aminohexane-2,3,4,5-tetrol
CID 22861300
2,3,4,5-tetrahydroxyhexyl nitrite
CID 163783121
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-(3-sulfanylpropanoyloxy)hexyl] 3-sulfanylpropanoate
CID 21118791
(2-aminoacetyl) propanoate;(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol
CID 176891819
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexyl] acetate
CID 54465409
[(2S)-2-amino-3-oxopentyl] 2-aminoacetate
CID 162175128
(2S,3R,4S,5S)-6-[2-(dimethylamino)acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
CID 71751459

Frequently Asked Questions

What is the IUPAC name of [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate?
The IUPAC name of [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate (CID 175926950) is [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate.
What is the SMILES notation for [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate?
The canonical SMILES for [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate is C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)CN.
What is the InChIKey of [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate?
The InChIKey is ZEWLAJUGMAODJD-XVCLALHZSA-N. The full InChI is InChI=1S/C8H17NO6/c1-4(10)7(13)8(14)5(11)3-15-6(12)2-9/h4-5,7-8,10-11,13-14H,2-3,9H2,1H3/t4-,5-,7-,8-/m0/s1.
What are the key properties of [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate?
[(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate has a molecular weight of 223.22 g/mol, XLogP of -3.05, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4S,5S)-2,3,4,5-tetrahydroxyhexyl] 2-aminoacetate is sourced from PubChem (CID 175926950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).