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About This Item
Empirical Formula (Hill Notation):
C14H22CaO10
CAS Number:
Molecular Weight:
390.40
UNSPSC Code:
12352200
Beilstein/REAXYS Number:
5670587
MDL number:
grade
purum
assay
≥96.0% (NT)
optical activity
[α]20/D +25±2°, c = 1% in H2O
impurities
~2% water
mp
>300 °C (lit.)
SMILES string
CC1(C)OC[C@@H](O1)[C@H](O)C(=O)O[Ca]OC(=O)[C@@H](O)[C@H]2COC(C)(C)O2
InChI
1S/2C7H12O5.Ca/c2*1-7(2)11-3-4(12-7)5(8)6(9)10;/h2*4-5,8H,3H2,1-2H3,(H,9,10);/q;;+2/p-2/t2*4-,5+;/m11./s1
InChI key
NOUVZISPTGHJFE-ASZNEFJQSA-L
Other Notes
Chiral building block; synthesis of substituted threonates; Preparation of substituted threitols
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