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12569-38-9 | Calcium, (4-O-β-D-galactopyranosyl-D-gluconato)(D-gluconato)-, monohydrate
CAS No: 12569-38-9 Catalog No: AG000OHR MDL No:MFCD03613597
Product Description
Catalog Number:
AG000OHR
Chemical Name:
Calcium, (4-O-β-D-galactopyranosyl-D-gluconato)(D-gluconato)-, monohydrate
CAS Number:
12569-38-9
MDL Number:
MFCD03613597
IUPAC Name:
calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate;(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoate;hydrate
InChI:
InChI=1S/C12H22O12.C6H12O7.Ca.H2O/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12;7-1-2(8)3(9)4(10)5(11)6(12)13;;/h3-10,12-20H,1-2H2,(H,21,22);2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t3-,4-,5+,6+,7-,8-,9-,10-,12+;2-,3-,4+,5-;;/m11../s1
InChI Key:
OKRXSXDSNLJCRS-NLOQLBMISA-L
EC Number:
917-297-6
Properties
Complexity:
686
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
13
Defined Bond Stereocenter Count:
0
Exact Mass:
610.127g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
14
Isotope Atom Count:
0
Molecular Weight:
610.528g/mol
Monoisotopic Mass:
610.127g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
363A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Metabolic effects of citrate- vs bicarbonate-based substitution fluid in continuous venovenous hemofiltration: a prospective sequential cohort study. | Journal of critical care 20100301 |
| Acute suppression of bone turnover with calcium infusion in persons with spinal cord injury. | The journal of spinal cord medicine 20090801 |
| The silence of the atria. | The Israel Medical Association journal : IMAJ 20080701 |
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