Basic information
- CAS
20972-29-6- Standard SMILES
CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O- InChIKey
HMQPEDMEOBLSQB-UITYFYQISA-N- Molecular formula
- C14H25NO11
- Average molar mass
- 383.35 g/mol
- Monoisotopic mass
- 383.14276061
Names & identifiers
- Preferred name
- 2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranose
- IUPAC
- N-[(3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
- English name
- beta-D-Gal-[1->3]-D-GalNAc
- Molecular formula
- C14H25NO11
- Molecular weight
- 383.35
Names & synonyms
20972-29-6RefChem:620871GlyTouCan:G78436BBG78436BB2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranoseGalacto-N-biosebeta-D-Galp-(1->3)-D-GalpNAcT AntigenTF epitopeMFCD00063995Thomsen-Friedenreich epitopeCHEBI:546807
Show more names
TF ANTIGENGAL-1-3GALNACGAL1-B-3GALNACGalβ(1-3)GalNAcGAL-BETA1,3GALNACβ-d-gal-(1→3)-d-galnacβ-D-Galp-(1,3)-D-GalpNAcbeta-D-Gal-[1->3]-D-GalNAc
2-Acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-galactopyranosebeta-D-Galactosyl-(1->3)-N-acetyl-D-galactosamine(Gal)1 (GalNAc)12-ACETAMIDO-2-DEOXY-3-O-(B-D-GALACTOPYRANOSYL)-D-GALACTOPYRANOSEbeta-D-Galactopyranosyl-(1->3)-N-acetyl-D-galactosaminebeta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranoseGal(b1-3)GalNAcGal-b1,3-GalNAc
Database identifiers
- CAS
20972-29-6
Properties
Computed structural properties
- XLogP
- -4.2
- Topological polar surface area
- 198 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Melting point
- 159 · 159-160
- storage temp.
- 20 °C · −20°C
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- HS Code
- 29400090 · 29400090
Safety & regulation
Safety data
- wgk
- 3
- hs_code
- 29400090
- safety_code
- 24/25
Chemistry & industry
Suppliers31 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海惠诚生物科技有限公司60498804 18930850192 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海凯森斯生物科技有限公司18616988519 · [email protected]
陕西星贝爱科生物科技有限责任公司029-13572876172 13572876172 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
BOC Sciences16314854226 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
2 records
Compound notes
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