HBE

(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

Created:	2018-12-03
Last modified:	2024-09-27

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1 entries where HBE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	6
Bond Count	25
Aromatic Bond Count	0

2D diagram of HBE

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Chemical Component Summary
Name	(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Systematic Name (OpenEye OEToolkits)	(2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula	C₇ H₁₂ O₅
Molecular Weight	176.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
SMILES	OpenEye OEToolkits	2.0.6	C(C1C(C(C(C2C1O2)O)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2O[C@@H]12
Canonical SMILES	OpenEye OEToolkits	2.0.6	C([C@@H]1[C@@H]([C@@H]([C@H](C2[C@H]1O2)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H12O5/c8-1-2-3(9)4(10)5(11)7-6(2)12-7/h2-11H,1H2/t2-,3+,4+,5-,6+,7-/m1/s1
InChIKey	InChI	1.03	YQLWKYQDOQEWRD-URFJBAFZSA-N

Related Resource References

Resource Name	Reference
PubChem	71811327

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