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26548-47-0 molecular structure
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(3S,4S,5S)-3-amino-4,5-dihydroxyhexanal

ChemBase ID: 126869
Molecular Formular: C6H13NO3
Molecular Mass: 147.17232
Monoisotopic Mass: 147.08954328
SMILES and InChIs

SMILES:
C[C@@H]([C@H]([C@H](CC=O)N)O)O
Canonical SMILES:
C[C@@H]([C@H]([C@H](CC=O)N)O)O
InChI:
InChI=1S/C6H13NO3/c1-4(9)6(10)5(7)2-3-8/h3-6,9-10H,2,7H2,1H3/t4-,5-,6+/m0/s1
InChIKey:
WPJRFCZKZXBUNI-HCWXCVPCSA-N

Cite this record

CBID:126869 http://www.chembase.cn/molecule-126869.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S,4S,5S)-3-amino-4,5-dihydroxyhexanal
IUPAC Traditional name
daunosamine
Synonyms
3-Amino-2,3,6-trideoxy-L-lyxo-hexose
Daunosamine
CAS Number
26548-47-0
PubChem SID
162221196
PubChem CID
160128
Wikipedia Title
Daunosamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.420751  H Acceptors
H Donor LogD (pH = 5.5) -4.8087287 
LogD (pH = 7.4) -3.4718125  Log P -1.9131739 
Molar Refractivity 36.1212 cm3 Polarizability 14.673558 Å3
Polar Surface Area 83.55 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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