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CAS 102286-67-9 FLUORESCEIN MONO-BETA-D-GALACTOPYRANOSIDE molecular structure lightbox
CAS RN: 102286-67-9

FLUORESCEIN MONO-BETA-D-GALACTOPYRANOSIDE

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5 package records3 with current stock2 grade groups
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Batchno.20250611 25mg In stock Inquiry
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  • Product code: starshine_CAS102286-67-9
  • Purity/Analytical Methods: >99.0%
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102286-67-9 / 3'-hydroxy-6'-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2-benzofuran-3,9'-xanthene]-1-one

Fluorescein monogalactoside | Fluorescein mono-beta-D-galactoside | RefChem:140892

Standard CAS: 102286-67-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102286-67-9
Multi CAS
Yes
Molecular Formula
C26H22O10
Molecular Weight
494.400000
Exact Mass
494.121297
SMILES
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O
InChI
InChI=1S/C26H22O10/c27-11-20-21(29)22(30)23(31)25(35-20)33-13-6-8-17-19(10-13)34-18-9-12(28)5-7-16(18)26(17)15-4-2-1-3-14(15)24(32)36-26/h1-10,20-23,25,27-31H,11H2/t20-,21+,22+,23-,25-,26?/m1/s1
InChIKey
NIPYQLPZPLBOLF-GBLLEDPASA-N
Synonyms
Fluorescein monogalactoside Fluorescein mono-beta-D-galactoside RefChem:140892 fluorescein mono-beta-d-galactopyranoside Fluorescein beta-D-galactopyranoside

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
5
Molar refractivity
120.76
TPSA
155.14

LogP / Solubility

WLOGP
1.14
MLOGP
1.04
XLogP3
1.6
Consensus LogP
1.26
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
9.5

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