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About This Item
Empirical Formula (Hill Notation):
C12H21NO5
CAS Number:
Molecular Weight:
259.30
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
assay
98%
form
liquid
optical activity
[α]20/D −55°, c = 1.3 in chloroform
optical purity
ee: 99% (HPLC)
refractive index
n20/D 1.443 (lit.)
bp
101-102 °C/2 mmHg (lit.)
density
1.082 g/mL at 25 °C (lit.)
functional group
ester, ether
SMILES string
COC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChI
1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m0/s1
InChI key
ZNBUXTFASGDVCL-QMMMGPOBSA-N
Application
Precursor to a configurationally stable serinal derivative (Garner′s aldehyde) that has been used to make azasugars, sphingolipids, and the amino sugar found in calicheamicin, a potent antitumor agent.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
199.4 °F - closed cup
flash_point_c
93 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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