Cytidine 3'-(dihydrogen phosphate)

Adsorption / desorption

Link to relevant study record(s)

Reference

Reference 1

Endpoint:

adsorption / desorption: screening

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Justification for type of information:

1. SOFTWARE
EPI-SUITE EPA (USA)

2. MODEL (incl. version number)
KOCWIN v2.00

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS 63-37-6, SMILES : O=C1N=C(N)C=CN1C2C(O)C(O)C(COP(=O)(O)O)O2

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification".

5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification”.

6. ADEQUACY OF THE RESULT
The QPRF is available in “Attached justification”.

Guideline:

other: REACH Guidance on QSARs R.6

Principles of method if other than guideline:

Meylan, W., P.H. Howard and R.S. Boethling, "Molecular Topology/Fragment Contribution Method for Predicting Soil Sorption Coefficients", Environ. Sci. Technol. 26: 1560-7 (1992).
SRC. 1991. Group Contribution Method for Predicting Soil Sorption Coefficients. William Meylan & Philip H. Howard, Syracuse Research Corporation (June 3, 1991). EPA Contract No. 68-D8-0117 (Work Assignment 2-19); SRC F0118-219

GLP compliance:

no

Type of method:

other: estimated by calculation

Specific details on test material used for the study:

SMILES: O=C1N=C(N)C=CN1C2C(O)C(O)C(COP(=O)(O)O)O2

Key result

Sample No.:

#1

Type:

log Koc

Value:

ca. 1 dimensionless

Remarks on result:

other: MCI method

Key result

Sample No.:

#1

Type:

Koc

Value:

ca. 10 L/kg

Remarks on result:

other: MCI method

Sample No.:

#2

Type:

log Koc

Value:

ca. -1.472 dimensionless

Remarks on result:

other: Kow method

Sample No.:

#2

Type:

Koc

Value:

ca. 0.034 L/kg

Remarks on result:

other: Kow method

KOCWIN predicted that the test item has a Koc= 10 L/kg and a LogKoc= 1.00 (MCI method)

Validity criteria fulfilled:

not applicable

Conclusions:

The calculated Koc is 10 L/kg and Log Koc is 1.00 (EPI-SUIT, KOCWIN v2.00, MCI method).

Executive summary:

The calculated Koc is 10 L/kg and Log Koc is 1.00 (EPI-SUITE, KOCWIN v2.00, MCI method).

Reference 2

Endpoint:

adsorption / desorption: screening

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to be conducted because the substance has a low octanol water partition coefficient and the adsorption potential of this substance is related to this parameter

Justification for type of information:

JUSTIFICATION FOR DATA WAIVING
Study scientifically not necessary / other information available: In accordance with column 2 of REACH Annex VIII, the study does not need to be conducted if, based on the physicochemical properties, the substance can be expected to have a low potential for absorption. Nevertheless, the calculated Koc is 10 L/kg and Log Koc is 1.00.

Reason / purpose for cross-reference:

data waiving: supporting information

Description of key information

Data waiving (study scientifically not necessary / other information available): In accordance with column 2 of REACH Annex VIII, the study does not need to be conducted if, based on the physicochemical properties, the substance can be expected to have a low potential for absorption. Nevertheless, the calculated Koc of the test item is 10 L/kg and log Koc is 1.00 ( EPI Suite, KOCWIN v2.00, MCI method).

Key value for chemical safety assessment

Koc at 20 °C:

10

Additional information

[LogKoc: 1.0]