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CAS 25320-79-0 2-NAPHTHYL-ALPHA-D-GLUCOPYRANOSIDE molecular structure lightbox
CAS RN: 25320-79-0

2-NAPHTHYL-ALPHA-D-GLUCOPYRANOSIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260219 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS25320-79-0
  • Purity/Analytical Methods: >99.0%
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25320-79-0 / (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol

Standard CAS: 25320-79-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25320-79-0
Multi CAS
No
Molecular Formula
C16H18O6
Molecular Weight
306.310000
Exact Mass
306.110338
SMILES
C1=CC=C2C=C(C=CC2=C1)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
InChI
InChI=1S/C16H18O6/c17-8-12-13(18)14(19)15(20)16(22-12)21-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13-,14+,15-,16+/m1/s1
InChIKey
MWHKPYATGMFFPI-LJIZCISZSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
4
Molar refractivity
78.34
TPSA
99.38

LogP / Solubility

WLOGP
0.02
MLOGP
0.03
XLogP3
0.8
Consensus LogP
0.28
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
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)
-4.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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