ISDA: 6QZG

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: JLT

IUPAC Name: 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol

Formal Charge: 0

Type: D-saccharide

Substructure

Substruture Type: MurckoScaffold

SMILES: C1CCOCC1

InChI: InChI=1S/C5H10O/c1-2-4-6-5-3-1/h1-5H2

InChI Key: DHXVGJBLRPWPCS-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C8 H18 O10 P2

Molecular weight: 336.170

Hydrogen Bond Acceptor: 10

Hydrogen Bond Donor: 7

Rotatable Bonds: 12

Heavy Atoms: 20

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1
InChIKey	InChI	1.03	BSBIMNCSLGLJLO-BZCSJUTBSA-N
SMILES_CANONICAL	CACTVS	3.385	O[C@@H]1[C@@H](O)[C@H](CC[P](O)(O)=O)O[C@H](C[P](O)(O)=O)[C@H]1O
SMILES	CACTVS	3.385	O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C(CP(=O)(O)O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CP(=O)(O)O)O)O)O
SMILES	OpenEye OEToolkits	2.0.7	C(CP(=O)(O)O)C1C(C(C(C(O1)CP(=O)(O)O)O)O)O

Chemical Database Mapping

Database	Reference ID
PubChem	146014944