CAS RN: 90-77-7

2-Amino-2-deoxyhexopyranose

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 100mg In stock Shanghai Inquiry
Batchno.20250905 1g In stock Shanghai Inquiry
Batchno.20260112 250mg In stock Shanghai Inquiry
Batchno.20250605 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250319 50mg In stock Shanghai Inquiry
Batchno.20260114 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS90-77-7
  • Purity/Analytical Methods: >99.0%
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90-77-7 / (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol

Standard CAS: 90-77-7 Multi CAS: Yes

Basic Information

CAS
90-77-7
Multi CAS
Yes
Molecular Formula
C6H13NO5
Molecular Weight
179.170000
Exact Mass
179.079373
InChI
InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4-,5-,6?/m1/s1
InChIKey
MSWZFWKMSRAUBD-IVMDWMLBSA-N

Physical Properties

Melting Point
88 °C
Physical Description
Alpha and beta forms are solids; [Merck Index] Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
5
Molar refractivity
37.95
TPSA
116.17

LogP / Solubility

WLOGP
-3.25
MLOGP
-2.87
XLogP3
-2.8
Consensus LogP
-2.97
Log S (ESOL)
1.17
Class (ESOL)
Highly soluble
Log S (Ali)
1.32
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.76
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)
-6.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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