(4R,5S,6R)-6-(hydroxymethyl)(2-13C)oxane-2,4,5-triol|2-Deoxy-D-arabinohexose-1-13C|2-Deoxy-D-glucose-1-13C|(4R,5S,6R)-6-(hydroxymethyl)(2-13C)oxane-2,4,5-...

Molecular Formula

C₆H₁₂O₅

Molecular Mass

165.14913484

Exact Mass

165.07182832

InChI

InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1/i5+1

InChIKey

PMMURAAUARKVCB-UPKQYVFDSA-N

Canonic Smiles

OC[C@H]1O[13CH](O)C[C@H]([C@@H]1O)O

Isomeric Smiles

C1[C@H]([C@@H]([C@H](O[13CH]1O)CO)O)O

JChem

Acid pKa

12.294304

H Acceptors

H Donor

LogD (pH = 5.5)

-2.0319011

LogD (pH = 7.4)

-2.0319066

Log P

-2.0319011

Molar Refractivity

34.4127

Polarizability

14.43744

Polar Surface Area

90.15

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

(4R,5S,6R)-6-(hydroxymethyl)(2-¹³C)oxane-2,4,5-triol

Synonyms

2-Deoxy-D-arabinohexose-1-13C2-Deoxy-D-glucose-1-13CLabeled Glucose

IUPAC name

(4R,5S,6R)-6-(hydroxymethyl)(2-¹³C)oxane-2,4,5-triol

MDL Number

MFCD08459803

PubChem SID

162230564

PubChem CID

71309709

Safety Information

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

GHS Precautionary statements

P305+P351+P338

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H319

Risk Statements

GHS Signal Word

Warning

Safety Statements

Product Information

Purity

98% (CP)

Empirical Formula (Hill Notation)

13CC5H12O5

Mol. Weight

mol wt 165.14 by atom % calculation

Isotopic Purity

99 atom % 13C

Physical Property

Mass Shift

M+1

Boiling Point

146-147 °C(lit.)

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

731978

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

IUPAC Traditional name

(4R,5S,6R)-6-(hydroxymethyl)(2-¹³C)oxane-2,4,5-triol

Synonyms

2-Deoxy-D-arabinohexose-1-13C2-Deoxy-D-glucose-1-13CLabeled Glucose

IUPAC name

(4R,5S,6R)-6-(hydroxymethyl)(2-¹³C)oxane-2,4,5-triol

MDL Number

MFCD08459803

PubChem SID

162230564

PubChem CID

71309709

Safety Information

European Hazard Symbols

Irritant (Xi)

MSDS Link

Download link

GHS Precautionary statements

P305+P351+P338

German water hazard class

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

GHS Hazard statements

H319

Risk Statements

GHS Signal Word

Warning

Safety Statements

Product Information

Purity

98% (CP)

Empirical Formula (Hill Notation)

13CC5H12O5

Mol. Weight

mol wt 165.14 by atom % calculation

Isotopic Purity

99 atom % 13C

Physical Property

Mass Shift

M+1

Boiling Point

146-147 °C(lit.)

Sigma Aldrich

731978

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Molecule

ID:136294