18D

3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

Created:	2009-04-27
Last modified:	2020-07-17

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1 entries where 18D is found as a standalone ligand2 entries where 18D is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	6
Bond Count	43
Aromatic Bond Count	0

2D diagram of 18D

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Chemical Component Summary
Name	3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Synonyms	3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosonic acid; 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosonic acid
Systematic Name (OpenEye OEToolkits)	(2R,4S,5R,6R)-2,4-dihydroxy-5-(propanoylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Formula	C₁₂ H₂₁ N O₉
Molecular Weight	323.296
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CC)C(O)C1
SMILES	CACTVS	3.352	CCC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
SMILES	OpenEye OEToolkits	1.6.1	CCC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
Canonical SMILES	CACTVS	3.352	CCC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
InChI	InChI	1.03	InChI=1S/C12H21NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h5-6,8-10,14-16,18,21H,2-4H2,1H3,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12+/m0/s1
InChIKey	InChI	1.03	QZBCMZXFDLYCRV-BLMTXZDNSA-N

Related Resource References

Resource Name	Reference
PubChem	44157356

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