EcoDrugPlus


Synonyms	4,1',6'-trichlorogalactosucrose Aspasvit E-955 INS NO.955 INS-955 NSC-759272 San sweet sa 8020 Sansweet su 100 Splenda Sucralose Sucrazit Trichlorogalactosucrose
Status
Molecule Category	Free-form
UNII	96K6UQ3ZD4

Synonyms

4,1',6'-trichlorogalactosucrose

Aspasvit

E-955

INS NO.955

INS-955

NSC-759272

San sweet sa 8020

Sansweet su 100

Splenda

Sucralose

Sucrazit

Trichlorogalactosucrose

Status

Molecule Category

Free-form

UNII

96K6UQ3ZD4


InChI Key	BAQAVOSOZGMPRM-KBFHZYTNSA-N
Smiles	OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl
InChI	InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6+,7-,8+,9+,10+,11-,12+/m1/s1

InChI Key

BAQAVOSOZGMPRM-KBFHZYTNSA-N

Smiles

OC[C@@H]1O[C@H](O[C@]2(CCl)O[C@H](CCl)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1Cl

InChI

InChI=1S/C12H19Cl3O8/c13-1-4-7(17)10(20)12(3-14,22-4)23-11-9(19)8(18)6(15)5(2-16)21-11/h4-11,16-20H,1-3H2/t4-,5+,6+,7-,8+,9+,10+,11-,12+/m1/s1

Property Name	Value
Molecular Formula	C12H19Cl3O8
Molecular Weight	397.64
AlogP	-1.66
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	5.0
Polar Surface Area	128.84
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C12H19Cl3O8

Molecular Weight

397.64

AlogP

-1.66

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

5.0

Polar Surface Area

128.84

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

23.0

Resources	Reference
ChEMBL	CHEMBL2107529
FDA SRS	96K6UQ3ZD4
PubChem	71485
ZINC	ZINC000004214346

Resources

Reference

ChEMBL

FDA SRS

PubChem

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

SUCRALOSE

Structure

Physicochemical Descriptors

Cross References