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CAS 10149-14-1 3-Deoxy-D-manno-oct-2-ulosonic acid molecular structure lightbox
CAS RN: 10149-14-1

3-Deoxy-D-manno-oct-2-ulosonic acid

  • Product code: SSC-002321
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.01g, 0.1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10149-14-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.01g >95% 0 Out of Stock Shenzhen Inquiry
0.1g >95% 0 Out of Stock Hong Kong Inquiry

10149-14-1 / (4R,5R,6R,7R)-4,5,6,7,8-pentahydroxy-2-oxooctanoic acid

3-Deoxy-D-manno-octulosonic acid | RefChem:911276 | GlyTouCan:G41024ZB

Standard CAS: 10149-14-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10149-14-1
Multi CAS
Yes
Molecular Formula
C8H14O8
Molecular Weight
238.190000
Exact Mass
238.068867
SMILES
C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)C(=O)C(=O)O
InChI
InChI=1S/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)/t3-,5-,6-,7-/m1/s1
InChIKey
KYQCXUMVJGMDNG-SHUUEZRQSA-N
Synonyms
3-Deoxy-D-manno-octulosonic acid RefChem:911276 GlyTouCan:G41024ZB CHEBI:11791 G41024ZB

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.75
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
6
Molar refractivity
48.37
TPSA
155.52

LogP / Solubility

WLOGP
-3.53
MLOGP
-3.11
XLogP3
-3.6
Consensus LogP
-3.41
Log S (ESOL)
1.37
Class (ESOL)
Highly soluble
Log S (Ali)
1.04
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.88
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)
-6.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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