Calcium;2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate

HCID 21969
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Basic information

CAS
5743-34-0
Standard SMILES
O=C([O-])C(O)C(O)C1OB(O)OC1CO.O=C([O-])C(O)C(O)C1OB(O)OC1CO.[Ca+2]
InChIKey
SSKRIDIHZLFJCG-UHFFFAOYSA-L
Molecular formula
C12H20B2CaO16
Average molar mass
482 g/mol
Monoisotopic mass
482.05633634

Names & identifiers

Preferred name
Calcium;2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate
IUPAC
calcium bis(2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate)
English name
CALCIUM BOROGLUCONATE
Molecular formula
C12H20B2CaO16
Molecular weight
481.98

Names & synonyms

calcium;2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoateC12H20B2CaO16SCHEMBL2386566DTXSID80972913SSKRIDIHZLFJCG-UHFFFAOYSA-LFG32243calcium bis{2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate}CALCIUM BOROGLUCONATECalcium diborogluconateGluconic acid cyclic 4,5-borate, calcium saltBis[4-O,5-O-(hydroxyboranediyl)-D-gluconic acid]calcium saltD-gluconic acid, cyclic 4,5-ester with boric acid, calcium salt (2:1)
Show more names
D-Gluconic acid, cyclic 4,5-ester with boric acid (H3BO3), calcium salt (2:1)calcium,2,3-dihydroxy-3-[2-hydroxy-5-(hydroxymethyl)-1,3,2-dioxaborolan-4-yl]propanoate

Database identifiers

CAS
5743-34-0
PubChem CID
21969
DTXSID
DTXSID80972913

Properties

Computed structural properties

Topological polar surface area
279 Ų
Hydrogen bond donors
8
Hydrogen bond acceptors
16
Rotatable bonds
6
Heavy atoms
31

Physicochemical properties

Density
1.703 at · 1.703 at 20℃
form
Solid
LogP
-0.87 at · -0.87 at 20℃ and pH4.2
FDA UNII
6915 G2PQI0 · 6915G2PQI0
REACH Registrations
Active

Safety & regulation

Safety data

REACH Registrations
Active

Chemistry & industry

Suppliers11 total

普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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