CAS RN: 62475-58-5
D-GLUCOHEPTOSE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS62475-58-5
- Purity/Analytical Methods: >99.0%
62475-58-5 / (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanal
Basic Information
CAS
62475-58-5
Multi CAS
Yes
Molecular Formula
C7H14O7
Molecular Weight
210.180000
Exact Mass
210.073953
InChI
InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4+,5-,6+,7+/m0/s1
InChIKey
YPZMPEPLWKRVLD-PJEQPVAWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.86
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
6
Molar refractivity
43.18
TPSA
138.45
LogP / Solubility
WLOGP
-4.02
MLOGP
-3.53
XLogP3
-3.6
Consensus LogP
-3.72
Log S (ESOL)
1.78
Class (ESOL)
Highly soluble
Log S (Ali)
1.62
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.59
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)
-6.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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