Products for Research Use Only
RegisterLogin

BML-111

CAT: 0931-T22526-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T22526-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
78606-80-1
Target
Others, Angiotensin-converting Enzyme (ACE)
Related Pathways
Others, Metabolism
Bioactivity
Inhibits leukotriene B4 (LTB4) -induced polymorphonuclear neutrophils (PMN) chemotaxis
Smiles
COC(=O)CCC[C@H](O)[C@H](O)CO
Molecular Formula
C8H16O5
Molecular Weight
192.21
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5S,6R)-Methyl 5,6,7-trihydroxyheptanoate
CAS Number78606-80-1
PubChem CID10899465
IUPAC Namemethyl (5S,6R)-5,6,7-trihydroxyheptanoate
Molecular FormulaC8H16O5
Molecular Weight192.21
XLogP-1.2
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
COC(=O)CCC[C@@H]([C@@H](CO)O)O
InChI
InChI=1S/C8H16O5/c1-13-8(12)4-2-3-6(10)7(11)5-9/h6-7,9-11H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey
RNMFWAFZUNVQOR-NKWVEPMBSA-N
Chemical Structure
2D Structure
2D structure of (5S,6R)-Methyl 5,6,7-trihydroxyheptanoate
CAS: 78606-80-1
CID: 10899465
Formula: C8H16O5
MW: 192.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.21
XLogP3-1.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass192.09977361
Monoisotopic Mass192.09977361
Topological Polar Surface Area87 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T200419-01BML-286
T89165-01BML-260
T68558-01BML-288
T2033-01BML-277
T3144-01BML-284
T204769-01BML-265
T89167-01BML-244
T77697-01BML-278
T3204-01BML-210
T6417-01BML-190

Alternative Products

CatalogName
MBS565796-01BML-111
HY-100450RBML-111 (Standard)
5488/10BML 111 10 mg
TBI3202-5MGBML-111, LXA agonist; Antiinflammatory ativity
MBS131442BML-210, (BML210; BML 210)
MBS131522BML-284 (BML 284; BML284)
TRC-B595890-100MGBML-287
CAA85432BML-190
HY-114023BML-288
HY-19987-01BML-284

Popular Products