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4999-79-5
17BETA-ESTRADIOL 3-SULFATE SODIUM SALT
Name
17BETA-ESTRADIOL 3-SULFATE SODIUM SALT
Formula
C18 H23 O5 S . Na
MolWeight
374.431
1Identification
【Name】
17BETA-ESTRADIOL 3-SULFATE SODIUM SALT
【CAS】
【MDL】
MFCD00056553
【English Synonyms】
【Formula】
C18 H23 O5 S . Na
【MolWeight】
374.431
【Inchi】
InChI=1S/C18H24O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1
【InChIKey】
InChIKey=LMJQCTISQYSLPF-CMZLOHJFSA-M
【SMILES】
C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)OS(=O)(=O)[O-].[Na+]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
17BETA-ESTRADIOL 3-SULFATE SODIUM SALT.cml
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