bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium

C14H28O17Tc — CID 56841673

IUPACbis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium
SMILESO=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=[Tc]
InChIInChI=1S/2C7H14O8.O.Tc/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;/h2*2-6,8-13H,1H2,(H,14,15);;/t2*2-,3+,4+,5+,6-;;/m11../s1
InChIKeyDJBFSPNPMWOEEZ-MYNVXSDXSA-N
MW566.36 g/mol
LogP-8.39
Rot. Bonds12

About bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium

bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium (PubChem CID 56841673) has the molecular formula C14H28O17Tc and a molecular weight of 566.36 g/mol. Its IUPAC name is bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium.

Molecular Properties

Compound Namebis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium
PubChem CID56841673
Molecular FormulaC14H28O17Tc
Molecular Weight566.36 g/mol
Exact Mass565.04
IUPAC Namebis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium
SMILESO=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=[Tc]
InChIInChI=1S/2C7H14O8.O.Tc/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;/h2*2-6,8-13H,1H2,(H,14,15);;/t2*2-,3+,4+,5+,6-;;/m11../s1
InChIKeyDJBFSPNPMWOEEZ-MYNVXSDXSA-N
XLogP-8.39
TPSA334.43 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500566.36
LogP ≤ 5-8.39
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium?
The IUPAC name of bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium (CID 56841673) is bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium.
What is the SMILES notation for bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium?
The canonical SMILES for bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium is O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=C(O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.O=[Tc].
What is the InChIKey of bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium?
The InChIKey is DJBFSPNPMWOEEZ-MYNVXSDXSA-N. The full InChI is InChI=1S/2C7H14O8.O.Tc/c2*8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;;/h2*2-6,8-13H,1H2,(H,14,15);;/t2*2-,3+,4+,5+,6-;;/m11../s1.
What are the key properties of bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium?
bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium has a molecular weight of 566.36 g/mol, XLogP of -8.39, 12 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2R,3S,4S,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid);oxotechnetium is sourced from PubChem (CID 56841673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).