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[ CAS No. 6155-35-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6155-35-7
Chemical Structure| 6155-35-7
Structure of 6155-35-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 6155-35-7 ]

CAS No. :6155-35-7 MDL No. :MFCD00071591
Formula : C6H14O6 Boiling Point : -
Linear Structure Formula :- InChI Key :BNRKZHXOBMEUGK-NRBMBCGPSA-N
M.W : 182.17 Pubchem ID :22856332
Synonyms :
6-deoxy-L-mannose monohydrate;α-L-Rhamnopyranose monohydrate
Chemical Name :(2R,3R,4R,5R,6S)-6-Methyltetrahydro-2H-pyran-2,3,4,5-tetraol hydrate

Calculated chemistry of [ 6155-35-7 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 37.62
TPSA : 99.38 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.17
Log Po/w (XLOGP3) : -2.56
Log Po/w (WLOGP) : -2.26
Log Po/w (MLOGP) : -2.75
Log Po/w (SILICOS-IT) : -1.72
Consensus Log Po/w : -1.82

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.64
Solubility : 801.0 mg/ml ; 4.4 mol/l
Class : Highly soluble
Log S (Ali) : 1.02
Solubility : 1900.0 mg/ml ; 10.4 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 2.06
Solubility : 21200.0 mg/ml ; 116.0 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.14

Safety of [ 6155-35-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6155-35-7 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 6155-35-7 ]

[ 6155-35-7 ] Synthesis Path-Downstream   1~16

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  • [ 98-88-4 ]
  • [ 61198-83-2 ]
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  • [ 107-18-6 ]
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  • [ 130282-66-5 ]
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  • [ 146934-34-1 ]
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  • [ 14218-08-7 ]
  • 14
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  • [ 511548-70-2 ]
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  • [ 80877-07-2 ]
  • 16
  • [ 6155-35-7 ]
  • [ 101068-99-9 ]
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