D-Threitol

HCID 169019
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Basic information

CAS
2418-52-2
Standard SMILES
OC[C@@H](O)[C@H](O)CO
InChIKey
UNXHWFMMPAWVPI-QWWZWVQMSA-N
Molecular formula
C4H10O4
Average molar mass
122.12 g/mol

Overview

D-threitol is the D-enantiomer of threitol. It has a role as a human metabolite. It is an enantiomer of a L-threitol.

Names & identifiers

Preferred name
D-Threitol
IUPAC
(2R,3R)-butane-1,2,3,4-tetrol
English name
D-THREITOL
Molecular formula
C4H10O4
Molecular weight
122.12

Names & synonyms

D-Threitol2418-52-2(2R,3R)-butane-1,2,3,4-tetrolD-threo-tetritolCHEBI:48300DTXSID801336604RefChem:130685GlyTouCan:G71815PLDTXCID201474903G71815PL((2R,3R)-2,3,4-tribenzoyloxybutyl) benzoateThreitol
Show more names
D-Threitol 99%(D)-(+)-Threitol,98%D-1,2,3,4-BUTANETETROLD-Threitol, 10 mM in DMSO1,2,3,4-Butanetetrol,(2R,3R)-
(2R,3R)-butane-1,2,3,4-tetraolThreitol, D-7493-90-51,2,3,4-Butanetetrol, [R-(R*,R*)]-(2R,3R)-1,2,3,4-Butanetetrol6DN82XBT5M1,2,3,4-Butanetetrol, (2R,3R)-1,2,3,4-Butanetetrol, (R-(R*,R*))-

Database identifiers

CAS
2418-52-2、7493-90-5
PubChem CID
169019
DTXSID
DTXSID801016717
ChEBI
CHEBI:48300
UNII
6DN82XBT5M
EC Number
621-282-7、626-535-5
Nikkaji
J7.872G

Properties

Computed structural properties

XLogP
-2.3
Topological polar surface area
80.9 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
8

Experimental & physicochemical properties

PolymersOther Classes -> Alcohols and Polyols, Other
Physical Description · 2 items

White crystalline solid; [Sigma-Aldrich MSDS]

Solid

Physicochemical properties

Melting point
88 · 88-90 °C (lit.)
Boiling point
330 · 330.0±0.0 °C(Predicted)
Density
1.43 · 1.430±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C
solubility
Methanol (Slightly), Water (Slightly)
pka
13.27 · 13.27±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Skin Irrit. 2 (100%)

Safety data

F
3
PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2905490000
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications

UsesD-Threitol is one of the major components of the extract of fruiting bodies of Hericium erinaceus.

Upstream & downstream products

Downstream products

Suppliers52 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]

Additional notes

DefinitionChEBI: D-threitol is the D-enantiomer of threitol. It has a role as a human metabolite. It is an enantiomer of a L-threitol.

Related reactions

1 records
New reaction record

Compound notes

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