1-DEOXY-1-NITRO-D-IDITOL HEMIHYDRATE

CAS No.
207121-57-1 ;96613-89-7
CCD No.
CCD00091542
Formula
C6 H13 N O7 . H2 O
MolWeight
229.184

Basic Information

Product Name: 1-DEOXY-1-NITRO-D-IDITOL HEMIHYDRATE
CAS: 207121-57-1 ;96613-89-7
English Synonyms: 1-DEOXY-1-NITRO-D-IDITOL HEMIHYDRATE, 99% ; 1-DEOXY-1-NITRO-D-IDITOL HEMIHYDRATE
MDL Number.: MFCD00191971
H bond acceptor: 8
H bond donor: 5
Smile: C([C@H]([C@@H]([C@H]([C@@H](CO)O)O)O)O)[N+](=O)[O-].O
InChi: InChI=1S/C6H13NO7.H2O/c8-2-4(10)6(12)5(11)3(9)1-7(13)14;/h3-6,8-12H,1-2H2;1H2/t3-,4-,5+,6+;/m1./s1
InChiKey: InChIKey=OHFQXMNDKUHFDU-QAYODLCCSA-N

Property

Melting Point: 88 DEG C(LIT)
Comments: OPTICAL ACTIVITY: [ALPHA]20/D +4.0 DEG, C = 2 IN H2O
UNSPSC: 12352100
WGK: 3

Safety information

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