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CAS 470-23-5 (2R,3S,4S,5R)-2,5-Bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol molecular structure lightbox
CAS RN: 470-23-5

(2R,3S,4S,5R)-2,5-Bis(hydroxymethyl)tetrahydrofuran-2,3,4-triol

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250128 100mg / 250mg Confirm by inquiry Shanghai Inquiry
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470-23-5 / (2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol

beta-D-fructofuranose | beta-Levulose | beta-D-Fructose

Standard CAS: 470-23-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
470-23-5
Multi CAS
Yes
Molecular Formula
C6H12O6
Molecular Weight
180.160000
Exact Mass
180.063388
SMILES
C(C1C(C(C(O1)(CO)O)O)O)O
InChI
InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey
RFSUNEUAIZKAJO-ARQDHWQXSA-N
Synonyms
beta-D-fructofuranose beta-Levulose beta-D-Fructose beta-Fruit sugar beta-D-Arabino-hexulose

Physical Properties

Melting Point
119 - 122 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
5
Molar refractivity
36.01
TPSA
110.38

LogP / Solubility

WLOGP
-3.22
MLOGP
-2.84
XLogP3
-2.3
Consensus LogP
-2.79
Log S (ESOL)
1.2
Class (ESOL)
Highly soluble
Log S (Ali)
1.29
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)
-6.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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