352000-02-3
2,5-ANHYDRO-D-MANNITOL-1-PHOSPHATE, BARIUM SALT HYDRATE
Name
2,5-ANHYDRO-D-MANNITOL-1-PHOSPHATE, BARIUM SALT HYDRATE
Formula
C6 H11 O8 P . Ba . H2 O
MolWeight
397.464
1Identification
【Name】
2,5-ANHYDRO-D-MANNITOL-1-PHOSPHATE, BARIUM SALT HYDRATE
【CAS】
【MDL】
MFCD00269910
【English Synonyms】
【Formula】
C6 H11 O8 P . Ba . H2 O
【MolWeight】
397.464
【Inchi】
InChI=1S/C6H13O8P.Ba.H2O/c7-1-3-5(8)6(9)4(14-3)2-13-15(10,11)12;;/h3-9H,1-2H2,(H2,10,11,12);;1H2/q;+2;/p-2/t3-,4-,5-,6-;;/m1../s1
【InChIKey】
InChIKey=JMWHUNDRKJYXKO-OXIHULNRSA-L
【SMILES】
C([C@@H]1[C@H]([C@@H]([C@H](O1)COP(=O)([O-])[O-])O)O)O.O.[Ba+2]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,5-ANHYDRO-D-MANNITOL-1-PHOSPHATE, BARIUM SALT HYDRATE.cml
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