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CAS 7264-19-9 Aldobiouronic acid molecular structure lightbox
CAS RN: 7264-19-9

Aldobiouronic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250615 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS7264-19-9
  • Purity/Analytical Methods: >99.0%
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7264-19-9 / (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexoxy]oxane-2-carboxylic acid

Standard CAS: 7264-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7264-19-9
Multi CAS
No
Molecular Formula
C12H20O12
Molecular Weight
356.280000
Exact Mass
356.095476
InChI
InChI=1S/C12H20O12/c13-1-3(14)5(16)6(17)4(15)2-23-12-9(20)7(18)8(19)10(24-12)11(21)22/h1,3-10,12,14-20H,2H2,(H,21,22)/t3-,4+,5+,6-,7-,8-,9+,10-,12+/m0/s1
InChIKey
NBTUEARNKVTGKY-VDQQCXGFSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.83
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
8
Molar refractivity
70.36
TPSA
214.44

LogP / Solubility

WLOGP
-5.46
MLOGP
-4.79
XLogP3
-4.8
Consensus LogP
-5.02
Log S (ESOL)
1.92
Class (ESOL)
Highly soluble
Log S (Ali)
1.46
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.6
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7

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