SIV

(3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name)

Created:	2022-07-05
Last modified:	2023-01-18

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1 entries where SIV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	3
Bond Count	22
Aromatic Bond Count	0

2D diagram of SIV

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Chemical Component Summary
Name	(3aS,6S,6aR)-3,3,3a,6-tetrahydroxytetrahydrofuro[3,2-b]furan-2(3H)-one (non-preferred name)
Systematic Name (OpenEye OEToolkits)	(3~{S},3~{a}~{R},6~{a}~{S})-3,6,6,6~{a}-tetrakis(oxidanyl)-3,3~{a}-dihydro-2~{H}-furo[3,2-b]furan-5-one
Formula	C₆ H₈ O₇
Molecular Weight	192.124
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC1COC2(O)C1OC(=O)C2(O)O
SMILES	CACTVS	3.385	O[CH]1CO[C]2(O)[CH]1OC(=O)C2(O)O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C2C(O1)(C(C(=O)O2)(O)O)O)O
Canonical SMILES	CACTVS	3.385	O[C@H]1CO[C@@]2(O)[C@@H]1OC(=O)C2(O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@@H]2[C@](O1)(C(C(=O)O2)(O)O)O)O
InChI	InChI	1.06	InChI=1S/C6H8O7/c7-2-1-12-6(11)3(2)13-4(8)5(6,9)10/h2-3,7,9-11H,1H2/t2-,3+,6-/m0/s1
InChIKey	InChI	1.06	QPPOKIPSRPKDEM-VPGXFDHMSA-N

Related Resource References

Resource Name	Reference
PubChem	90659000

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