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88393-56-0 molecular structure
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(2R,3R)-N,N'-dibenzyl-2,3-dihydroxybutanediamide

ChemBase ID: 147669
Molecular Formular: C18H20N2O4
Molecular Mass: 328.3624
Monoisotopic Mass: 328.14230713
SMILES and InChIs

SMILES:
c1ccc(cc1)CNC(=O)[C@@H]([C@H](C(=O)NCc1ccccc1)O)O
Canonical SMILES:
O[C@H]([C@H](C(=O)NCc1ccccc1)O)C(=O)NCc1ccccc1
InChI:
InChI=1S/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m1/s1
InChIKey:
BBYSAHVLSFBCMN-HZPDHXFCSA-N

Cite this record

CBID:147669 http://www.chembase.cn/molecule-147669.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R,3R)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
IUPAC Traditional name
(2R,3R)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
Synonyms
N,N′-Dibenzyl-L-tartramide
(+)-N,N′-Dibenzyl-L-tartaric diamide
N,N′-二苄基-L-酒石酰胺
(+)-N,N′-二苯甲基-L-酒石二酰胺
CAS Number
88393-56-0
MDL Number
MFCD00064478
PubChem SID
162241856
24856485
PubChem CID
7271811

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
276057 external link Add to cart Please log in.
Data Source Data ID
PubChem 7271811 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.677036  H Acceptors
H Donor LogD (pH = 5.5) 0.45361295 
LogD (pH = 7.4) 0.45359036  Log P 0.45361325 
Molar Refractivity 88.8764 cm3 Polarizability 34.63377 Å3
Polar Surface Area 98.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
198-200 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +83°, c = 5.5 in pyridine expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
99% expand Show data source
Linear Formula
[-CH(OH)CONHCH2C6H5]2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 276057 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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