JVA

2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol

Created:	2018-10-01
Last modified:	2020-07-17

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1 entries where JVA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	5
Bond Count	30
Aromatic Bond Count	0

2D diagram of JVA

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Chemical Component Summary
Name	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
Systematic Name (OpenEye OEToolkits)	[(2~{S},3~{S},4~{S},5~{S},6~{R})-3-fluoranyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]methylphosphonic acid
Formula	C₇ H₁₄ F O₇ P
Molecular Weight	260.154
Type	D-SACCHARIDE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
SMILES	CACTVS	3.385	OC[CH]1O[CH](C[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	2.0.6	C(C1C(C(C(C(O1)CP(=O)(O)O)F)O)O)O
Canonical SMILES	CACTVS	3.385	OC[C@H]1O[C@H](C[P](O)(O)=O)[C@@H](F)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CP(=O)(O)O)F)O)O)O
InChI	InChI	1.03	InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
InChIKey	InChI	1.03	CDQMFQZEPGCBTC-NYMZXIIRSA-N

Related Resource References

Resource Name	Reference
PubChem	138756250

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